INTRODUCTION TO OUHNTUM MECHANICS

Schrddinger Equation and Path Integral

INTRODUCTION TO QUANTUM MECHANICS
Schrodinger Equation and Path Integral

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Schrodinger Equation and Path Integn

University of Kaiserslautern, Germany

\(P World Scientific
N E W J E R S E Y • L O N D O N • S I N G A P O R E • B E I J I N G • S H A N G H A I • HONG KONG • T A I P E I • CHENNAI

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INTRODUCTION TO QUANTUM MECHANICS: Schrodinger Equation and Path Integral Copyright © 2006 by World Scientific Publishing Co. Pte. Ltd. All rights reserved. This book, or parts thereof, may not be reproduced in any form or by any means, electronic or mechanical, including photocopying, recording or any information storage and retrieval system now known or to be invented, without written permission from the Publisher.

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ISBN 981-256-691-0 ISBN 981-256-692-9 (pbk)

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Contents
Preface 1 Introduction 1.1 Origin and Discovery of Quantum Mechanics 1.2 Contradicting Discretization: Uncertainties 1.3 Particle-Wave Dualism 1.4 Particle-Wave Dualism and Uncertainties 1.4.1 Further thought experiments 1.5 Bohr's Complementarity Principle 1.6 Further Examples xv 1 1 7 12 14 17 19 20 23 23 23 29 29 31 34 38 41 41 41 49 53 54 55 59 59 60

2 Hamiltonian Mechanics 2.1 Introductory Remarks 2.2 The Hamilton Formalism 2.3 Liouville Equation, Probabilities 2.3.1 Single particle consideration 2.3.2 Ensemble consideration 2.4 Expectation Values of Observables 2.5 Extension beyond Classical Mechanics 3 Mathematical Foundations of Quantum Mechanics 3.1 Introductory Remarks 3.2 Hilbert Spaces 3.3 Operators in Hilbert Space 3.4 Linear Functionals and Distributions 3.4.1 Interpretation of distributions in physics 3.4.2 Properties of functionals and the delta distribution . . Dirac's Ket- and Bra-Formalism 4.1 Introductory Remarks 4.2 Ket and Bra States v

4

VI

4.3 4.4 4.5 5

Linear Operators, Hermitian Operators Observables Representation Spaces and Basis Vectors

62 68 71 73 73 73 77 78 80 83 83 84 90 91 98 98 105 105 105 Ill 113 118 118 123 129 129 130 133 139 143 146 147 152 155

Schrodinger Equation and Liouville Equation 5.1 Introductory Remarks 5.2 The Density Matrix 5.3 The Probability Density p(x, t) 5.4 Schrodinger Equation and Liouville Equation 5.4.1 Evaluation of the density matrix Quantum Mechanics of the Harmonic Oscillator 6.1 Introductory Remarks 6.2 The One-Dimensional Linear Oscillator 6.3 The Energy Representation of the Oscillator 6.4 The Configuration Space Representation 6.5 The Harmonic Oscillator Equation 6.5.1 Derivation of the generating function Green's Functions 7.1 Introductory Remarks 7.2 Time-dependent and Time-independent Cases 7.3 The Green's Function of a Free Particle 7.4 Green's Function of the Harmonic Oscillator 7.5 The Inverted Harmonic Oscillator 7.5.1 Wave packets 7.5.2 A particle's sojourn time T at the maximum Time-Independent Perturbation Theory 8.1 Introductory Remarks 8.2 Asymptotic Series versus Convergent Series 8.2.1 The error function and Stokes discontinuities 8.2.2 Stokes discontinuities of oscillator functions 8.3 Asymptotic Series from Differential Equations 8.4 Formal Definition of Asymptotic Expansions 8.5 Rayleigh-Schrodinger Perturbation Theory 8.6 Degenerate Perturbation Theory 8.7 Dingle-Miiller Perturbation Method

6

7

8

Vll

9

The 9.1 9.2 9.3 9.4

Density Matrix and Polarization Phenomena Introductory Remarks Reconsideration of Electrodynamics Schrodinger and Heisenberg Pictures The Liouville Equation

161 161 161 166 167 169 169 169 170 173 176 178 184 185 189 191 195 199 199 199 205 206 210 213 215 215 . . 219 223 227 234 237 239 243 249 249 250 251 254

10 Quantum Theory: The General Formalism 10.1 Introductory Remarks 10.2 States and Observables 10.2.1 Uncertainty relation for observables A, B 10.3 One-Dimensional Systems 10.3.1 The translation operator U(a) 10.4 Equations of Motion 10.5 States of Finite Lifetime 10.6 The Interaction Picture 10.7 Time-Dependent Perturbation Theory 10.8 Transitions into the Continuum 10.9 General Time-Dependent Method 11 The Coulomb Interaction 11.1 Introductory Remarks 11.2 Separation of Variables, Angular Momentum 11.2.1 Separation of variables 11.3 Representation of Rotation Group 11.4 Angular Momentum:Angular Representation 11.5 Radial Equation for Hydrogen-like Atoms 11.6 Discrete Spectrum of the Coulomb Potential 11.6.1 The eigenvalues 11.6.2 Laguerre polynomials: Various definitions in use! 11.6.3 The eigenfunctions 11.6.4 Hydrogen-like atoms in parabolic coordinates 11.7 Continuous Spectrum of Coulomb Potential 11.7.1 The Rutherford formula 11.8 Scattering of a Wave Packet 11.9 Scattering Phase and Partial Waves 12 Quantum Mechanical Tunneling 12.1 Introductory Remarks 12.2 Continuity Equation and Conditions 12.3 The Short-Range Delta Potential 12.4 Scattering from a Potential Well

vm 12.5 Degenerate Potentials and Tunneling 13 Linear Potentials 13.1 Introductory Remarks 13.2 The Freely Falling Particle: Quantization 13.2.1 Superposition of de Broglie waves 13.2.2 Probability distribution at large times 13.3 Stationary States 13.4 The Saddle Point or Stationary Phase Method 14 Classical Limit and W K B Method 14.1 Introductory Remarks 14.2 Classical Limit and Hydrodynamics Analogy 14.3 The WKB Method 14.3.1 The approximate WKB solutions 14.3.2 Turning points and matching of WKB solutions . . . . 14.3.3 Linear approximation and matching 14.4 Bohr-Sommerfeld-Wilson Quantization 14.5 Further Examples 15 Power Potentials 15.1 Introductory Remarks 15.2 The Power Potential 15.3 The Three-Dimensional Wave Function 16 Screened Coulomb Potentials 16.1 Introductory Remarks 16.2 Regge Trajectories 16.3 The S-Matrix 16.4 The Energy Expansion 16.5 The Sommerfeld-Watson Transform 16.6 Concluding Remarks 17 Periodic Potentials 17.1 Introductory Remarks 17.2 Cosine Potential: Weak Coupling Solutions 17.2.1 The Floquet exponent 17.2.2 Four types of periodic solutions 17.3 Cosine Potential: Strong Coupling Solutions 17.3.1 Preliminary remarks 17.3.2 The solutions 259 265 265 265 266 270 272 276 281 281 282 286 286 290 293 297 301 307 307 308 315 319 319 322 328 329 330 336 339 339 341 341 350 353 353 354

ix

17.3.3 The eigenvalues 17.3.4 The level splitting 17.4 Elliptic and Ellipsoidal Potentials 17.4.1 Introduction 17.4.2 Solutions and eigenvalues 17.4.3 The level splitting 17.4.4 Reduction to Mathieu functions 17.5 Concluding Remarks 18 Anharmonic Oscillator Potentials 18.1 Introductory Remarks 18.2 The Inverted Double Well Potential 18.2.1 Defining the problem 18.2.2 Three pairs of solutions 18.2.3 Matching of solutions 18.2.4 Boundary conditions at the origin 18.2.5 Boundary conditions at infinity 18.2.6 The complex eigenvalues 18.3 The Double Well Potential 18.3.1 Defining the problem 18.3.2 Three pairs of solutions 18.3.3 Matching of solutions 18.3.4 Boundary conditions at the minima 18.3.5 Boundary conditions at the origin 18.3.6 Eigenvalues and level splitting 18.3.7 General Remarks 19 Singular Potentials 19.1 Introductory Remarks 19.2 The Potential 1/r 4 — Case of Small h2 19.2.1 Preliminary considerations 19.2.2 Small h solutions in terms of Bessel functions . . . . 19.2.3 Small h solutions in terms of hyperbolic functions . . 19.2.4 Notation and properties of solutions 19.2.5 Derivation of the S-matrix 19.2.6 Evaluation of the S-matrix 19.2.7 Calculation of the absorptivity 19.3 The Potential 1/r 4 — Case of Large h2 19.3.1 Preliminary remarks 19.3.2 The Floquet exponent for large h2 19.3.3 Construction of large-h 2 solutions

361 363 371 371 373 375 377 378 379 379 382 382 384 391 393 396 402 405 405 407 412 414 417 424 427 435 435 436 436 438 441 442 446 455 458 460 460 461 464

X

19.3.4 The connection formulas 19.3.5 Derivation of the S-matrix 19.4 Concluding Remarks 20 Large Order Behaviour of Perturbation Expansions 20.1 Introductory Remarks 20.2 Cosine Potential: Large Order Behaviour 20.3 Cosine Potential: Complex Eigenvalues 20.3.1 The decaying ground state 20.3.2 Decaying excited states 20.3.3 Relating the level splitting to imaginary E 20.3.4 Recalculation of large order behaviour 20.4 Cosine Potential: A Different Calculation 20.5 Anharmonic Oscillators 20.5.1 The inverted double well 20.5.2 The double well 20.6 General Remarks 21 The 21.1 21.2 21.3 Path Integral Formalism Introductory Remarks Path Integrals and Green's Functions The Green's Function for Potential V=0 21.3.1 Configuration space representation 21.3.2 Momentum space represenation Including V in First Order Perturbation Rederivation of the Rutherford Formula Path Integrals in Dirac's Notation Canonical Quantization from Path Integrals

466 468 470 471 471 476 479 479 486 493 494 495 500 500 501 502 503 503 504 510 510 513 514 518 524 533 537 537 539 544 549 554 557 564 570 574 579

21.4 21.5 21.6 21.7

22 Classical Field Configurations 22.1 Introductory Remarks 22.2 The Constant Classical Field 22.3 Soliton Theories in One Spatial Dimension 22.4 Stability of Classical Configurations 22.5 Bogomol'nyi Equations and Bounds 22.6 The Small Fluctuation Equation 22.7 Existence of Finite-Energy Solutions 22.8 Ginzburg-Landau Vortices 22.9 Introduction to Homotopy Classes 22.10The Fundamental Homotopy Group

XI

23 Path Integrals and Instantons 23.1 Introductory Remarks 23.2 Instantons and Anti-Instantons 23.3 The Level Difference 23.4 Field Fluctuations 23.4.1 The fluctuation equation 23.4.2 Evaluation of the functional integral 23.4.3 The Faddeev-Popov constraint insertion 23.4.4 The single instanton contribution 23.4.5 Instanton-anti-instanton contributions 23.5 Concluding Remarks

583 583 583 592 596 596 603 609 613 614 618

24 Path Integrals and Bounces on a Line 619 24.1 Introductory Remarks 619 24.2 The Bounce in a Simple Example 625 24.3 The Inverted Double Well: The Bounce and Complex Energy 631 24.3.1 The bounce solution 631 24.3.2 The single bounce contribution 635 24.3.3 Evaluation of the single bounce kernel 637 24.3.4 Sum over an infinite number of bounces 641 24.3.5 Comments 644 24.4 Inverted Double Well: Constant Solutions 644 24.5 The Cubic Potential and its Complex Energy 645 25 Periodic Classical Configurations 25.1 Introductory Remarks 25.2 The Double Well Theory on a Circle 25.2.1 Periodic configurations 25.2.2 The fluctuation equation 25.2.3 The limit of infinite period 25.3 The Inverted Double Well on a Circle 25.3.1 Periodic configurations 25.3.2 The fluctuation equation 25.3.3 The limit of infinite period 25.4 The Sine-Gordon Theory on a Circle 25.4.1 Periodic configurations 25.4.2 The fluctuation equation 25.5 Conclusions 649 649 650 650 659 663 664 664 667 669 670 670 671 673

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26 Path Integrals and Periodic Classical Configurations 675 26.1 Introductory Remarks 675 26.2 The Double Well and Periodic Instantons 676 26.2.1 Periodic configurations and the double well 676 26.2.2 Transition amplitude and Feynman kernel 678 26.2.3 Fluctuations about the periodic instanton 679 26.2.4 The single periodic instanton contribution 684 26.2.5 Sum over instanton-anti-instanton pairs 688 26.3 The Cosine Potential and Periodic Instantons 690 26.3.1 Periodic configurations and the cosine potential . . . . 690 26.3.2 Transition amplitude and Feynman kernel 693 26.3.3 The fluctuation equation and its eigenmodes 694 26.3.4 The single periodic instanton contribution 696 26.3.5 Sum over instanton-anti-instanton pairs 700 26.4 The Inverted Double Well and Periodic Instantons 702 26.4.1 Periodic configurations and the inverted double well . 702 26.4.2 Transition amplitude and Feynman kernel 705 26.4.3 The fluctuation equation and its eigenmodes 706 26.4.4 The single periodic bounce contribution 708 26.4.5 Summing over the infinite number of bounces 710 26.5 Concluding Remarks 714 27 Quantization of Systems with Constraints 27.1 Introductory Remarks 27.2 Constraints: How they arise 27.2.1 Singular Lagrangians 27.3 The Hamiltonian of Singular Systems 27.4 Persistence of Constraints in Course of Time 27.5 Constraints as Generators of a Gauge Group 27.6 Gauge Fixing and Dirac Quantization 27.7 The Formalism of Dirac Quantization 27.7.1 Poisson and Dirac brackets in field theory 27.8 Dirac Quantization of Free Electrodynamics 27.9 Faddeev-Jackiw Canonical Quantization 27.9.1 The method of Faddeev and Jackiw 28 The 28.1 28.2 28.3 Quantum-Classical Crossover as Phase Transition Introductory Remarks Relating Period to Temperature Crossover in Previous Cases 28.3.1 The double well and phase transitions 715 715 717 720 723 726 727 734 736 740 740 745 745 753 753 755 756 757

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28.3.2 The cosine potential and phase transitions 28.4 Crossover in a Simple Spin Model 28.5 Concluding Remarks 29 Summarizing Remarks A Properties of Jacobian Elliptic Functions Bibliography Index

759 760 771 773 775 779 797

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Preface
With the discovery of quantization by Planck in 1900, quantum mechanics is now more than a hundred years old. However, a proper understanding of the phenomenon was gained only later in 1925 with the fundamental Heisenberg commutation relation or phase space algebra and the associated uncertainty principle. The resulting Schrodinger equation has ever since been the theoretical basis of atomic physics. The alternative formulation by Feynman in terms of path integrals appeared two to three decades later. Although the two approaches are basically equivalent, the Schrodinger equation has found much wider usefulness, particularly in applications, presumably, in view of its simpler mathematics. However, the realization that solutions of classical equations, notably in field theory, play an important role in our understanding of a large number of physical phenomena, intensified the interest in Feynman's formulation of quantum mechanics, so that today this method must be considered of equal basic significance. Thus there are two basic approaches to the solution of a quantum mechanical problem, and an understanding of both and their usefulness in respective domains calls for their application to exemplary problems and their comparison. This is our aim here on an introductory level. Throughout the development of theoretical physics two types of forces played an exceptional role: That of the restoring force of simple harmonic motion proportional to the displacement, and that in the Kepler problem proportional to the inverse square of the distance, i.e. Newton's gravitational force like that of the Coulomb potential. In the early development of quantum mechanics again oscillators appeared (though not really those of harmonic type) in Planck's quantization and the Coulomb potential in the Bohr model of the hydrogen atom. Again after the full and proper formulation of quantum mechanics with Heisenberg's phase space algebra and Born's wave function interpretation the oscillator and the Coulomb potentials provided the dominant and fully solvable models with a large number of at least approximate applications. To this day these two cases of interaction with nonresonant spectra feature as the standard and most important xv

its mathematical foundations. like periodic potentials. Thus important level splitting formulas for periodic and anharmonic oscillator potentials (i. has not always been understood well. With various techniques and deeper studies. Diverse and more detailed quantum mechanical investigations in the second half of the last century revealed that perturbation theory frequently does permit systematic procedures (as is evident e. Excluding spin. numerous problems could. that is the Coulomb potential and the harmonic oscillator. even though the expansions are mostly asymptotic. the aforementioned exactly solvable cases. These basic cases will be dealt with in detail by both methods in this text. Thus this first part . In the first part. Then the Schrodinger equation is introduced and the two main exactly solvable cases of harmonic oscillator and Coulomb potentials are treated in detail since these form the basis of much of what follows. any problem more complicated is frequently dispensed with by referring to cumbersome perturbation methods. whereas for the calculation of discrete eigenvalues the Schrodinger equation. but arise also in recently studied models of large spins. Chapters 1 to 14. screened Coulomb potentials and maybe singular potentials. in Feynman diagrams in quantum electrodynamics). but also about complex energies that he encounters in a parallel course on nuclear physics.g. basic postulates and standard applications. one problem being that there are few nontrivial models which permit a deeper insight into their connection. we recapitulate the origin of quantum mechanics. with degenerate vacua) were first and more easily derived from the Schrodinger equation. With the growing importance of models in statistical mechanics and in field theory. again point the way: For scattering problems the path integral seems particularly convenient. To what extent the two methods are actually equivalent.e. and it will be seen in the final chapter that potentials with degenerate vacua are not exclusively of general interest. However. be treated to a considerable degree of satisfaction perturbatively.XVI illustrative examples in any treatise on quantum mechanics and — excepting various kinds of square well and rectangular barrier potentials — leave the student sometimes puzzled about other potentials that he encounters soon thereafter. in fact. The introduction to quantum mechanics we attempt here could be subdivided into essentially four consecutive parts. the path integral method of Feynman was soon recognized to offer frequently a more general procedure of enforcing first quantization instead of the Schrodinger equation. Our approach to quantum mechanics is through a passage from the Poisson algebra of classical Hamiltonian mechanics to the canonical commutator algebra of quantum mechanics which permits the introduction of Heisenberg and Schrodinger pictures already on the classical level with the help of canonical transformations.

After a treatment of power potentials. Chapters 15 to 20. This is followed by the important case of the cosine or Mathieu potential for which the perturbation method was originally developed. and the elliptic or Lame potential — here introduced earlier as a generaliza- . and the behaviour of the eigenvalues is discussed in both weak and strong coupling domains with formation of bands and their asymptotic limits. In part three the path integral method is introduced and its use is illustrated by application to the Coulomb potential and to the derivation of the Rutherford scattering formula. the chapter thereafter deals with Yukawa potentials. The following Chapter then deals with Schrodinger potentials which represent essentially anharmonic oscillators. we deal mostly with applications depending on perturbation theory.XVII deals mainly with standard quantum mechanics although we do not dwell here on a large number of other aspects which are treated in detail in the long-established and wellknown textbooks. In the majority of the cases that we treat we do not use the standard Rayleigh-Schrodinger perturbation method but the systematic perturbation procedure of Dingle and Muller which is introduced in Chapter 8. the method of matched asymptotic expansions with boundary conditions (the latter providing the so-called nonperturbative effects). In the second part. Using perturbation theory. periodic instantons. The most prominent examples here are the double well potential and its inverted form.e. which is presumably the only such singular case permitting complete solution and was achieved only recently. and their eigenvalues. The earlier Chapter 17 also contains a brief description of a similar treatment of the elliptic or Lame potential. The solution of this case — however in nonperiodic form — turns out to be a prerequisite for the complete solution of the Schrodinger equation for the singular potential 1/r 4 in Chapter 19. Thereafter the concepts of instantons. we derive respectively the level-splitting formula and the imaginary energy part for these cases for arbitrary states. In the final chapter of this part we discuss the large order behaviour of the perturbation expansion with particular reference to the cosine and double well potentials. The potentials with degenerate minima will be seen to re-appear throughout the text. i. The following chapters deal with the derivation of level splitting formulas (including excited states) for periodic potentials and anharmonic oscillators and — in the one-loop approximation considered — are shown to agree with those obtained by perturbation theory with associated boundary conditions. We also consider inverted double wells and calculate with the path integral the imaginary part of the energy (or decay width). bounces and sphalerons are introduced and their relevance in quantum mechanical problems is discussed (admittedly in also trespassing the sharp dividing line between quantum mechanics and simple scalar field theory).

however. The application of path integrals to the same problems with the same aims is seen to involve a number of subtle steps. With a fully systematic perturbation method and with applied boundary conditions. All results are compared with those obtained by perturbation theory. except that these are no longer of hypergeometric type. In addition this part considers in more detail the region near the top of a potential barrier around the configuration there which is known as a sphaleron. such as limiting procedures. it is. the Schrodinger equation can be solved for practically any potential in complete analogy to wellknown differential equations of mathematical physics. and whenever available also with the results of WKB calculations. cubic). The particular solutions and eigenvalues of interest in physics are — as a rule — those which are asymptotic expansions. the Mathieu equation. This method is therefore more complicated. These considerations demonstrate (also with reference to the topic of spin-tunneling and large-spin behaviour) the basic nature also of the classical configurations in a vast area of applications. We then illustrate the relevance of this in the method of collective coordinates. in compiling this text it was not possible to transcribe anything from the highly condensed (and frequently unsystematic) original literature on applications of path integrals (as the reader can see. This puts Schrodinger equations with e. this comparison on a transparent level being one of the main aims of this text. we can make the following observations. for instance. an approximation whose higher .g. Our fourth and final part therefore deals with elementary aspects of the quantization of systems with constraints as introduced by Dirac. from our precise reference to unavoidable elliptic integrals taken from Tables). The physical behaviour there (in the transition region between quantum and thermal physics) is no longer controlled by the Schrodinger equation. quartic. The introduction of collective coordinates of classical configurations and the fluctuations about these leads to constraints. anharmonic oscillator potentials on a comparable level with. Comparing the Schrodinger equation method with that of the path integral as applied to identical or similar problems. In fact. Employing anharmonic oscillator and periodic potentials and re-obtaining these in the context of a simple spin model. for instance. An expected observation is that — ignoring a minor deficiency — the WKB approximation is and remains the most immediate way to obtain the dominant contribution of an eigenenergy. we consider the topic of transitions between the quantum and thermal regimes at the top of the barrier and show that these may be classified in analogy to phase transitions in statistical mechanics.xvm tion of the Mathieu potential — re-appears as the potential in the equations of small fluctuations about the classical configurations in each of the basic cases (cosine.

with the source given in the bibliography at the end.* H. This endeavour developed into an unforeseen task leading to periodic instantons and the exploration of quantum-classical transitions. also for the verification of results. Andrews). D. K.g. we also consider at various points of the text comparisons with WKB approximations. The author has to thank several of his colleagues for their highly devoted collaboration in this latter part of the work over many years. Whittaker and Watson [283]. not the least for permitting a more detailed and hopefully comprehensible presentation here. Dingle (then University of Western Australia.-Q. Thus when instantons became a familiar topic it was natural to venture into this with the intent to compare the results with those of perturbation theory. in particular Professors J. Throughout the text some calculations which require special attention. The line of thinking underlying this text grew out of the author's association with Professor R. The author is deeply indebted to his one-time supervisor Professor R. As a rule. an additional motivation was that a sufficient understanding of the more complicated of these problems had been achieved only in recent years. Since this comparison was the guide-line in writing the text.g. B. like E. shows him that each such formula here has been properly looked up). D.XIX order contributions are difficult to obtain. Their deep involvement in the attempt described here is evident from the cited bibliography. Whittaker and G. e. T. N. H. the references referred to are never cited by mere numbers which have to be identified e. In writing this text the author considered it of interest to demonstrate the parallel application of both the Schrodinger equation and the path integral to a selection of basic problems. . which is particularly important in the case of elliptic integrals which require a relative ordering of integration limits and parameter domains. Watson [283]. as well as applications and illustrations. formulas taken from Tables or elsewhere are referred to by number and/or page number in the source. Park (Masan). W.g. other topics have been left out which are usually found in books on quantum mechanics (and can be looked up there). Miiller-Kirsten *In the running text references are cited like e. Dingle for paving him the way into this field which — though not always at the forefront of current research (including the author's) — repeatedly triggered recurring interest to return to it. thereafter University of St. B. Instead a glance at a nearby footnote provides the reader immediately the names of authors. J. For ease of reading. so that the reader is spared difficult and considerably time-consuming searches in a source (and besides. at the end of a chapter (after troublesome turning of pages). are relegated to separate subsections which — lacking a better name — we refer to as Examples. Nonetheless. Tchrakian (Dublin) and Jianzu Zhang (Shanghai). whose research into asymptotic expansions laid the ground for detailed explorations into perturbation theory and large order behaviour. Liang (Taiyuan).

Kirchhoff's law in thermodynamics says that in the case of equilibrium. which involved also thermodynamics and statistical mechanics (in the sense of Boltzmann's statistical interpretation of entropy). that the formula he had established for the energy distribution of electromagnetic black body radiation was in agreement with the experimentally confirmed Wien. Although practically every book on quantum mechanics refers at the beginning to Planck's discovery. We do not enter here into detailed considerations of Planck. Thermal radiation (with wave-lengths A ~ 10~ 5 to 10 .2 cm at moderate temperatures T) is the radiation emitted by a body (consisting of a large number of atoms) as a result of the temperature (as we know today as a result of transitions between a large number of very closely lying energy levels).and Rayleigh-Jeans laws for the limiting cases of small and large values of the wave-length A (or AT) respectively is generally considered as the discovery of quantum mechanics.Chapter 1 Introduction 1. Planck had arrived at his formula with the assumption of a distribution of a countable number of infinitely many oscillators. very few explain in this context what he really did in view of involvement with statistical mechanics. A "perfectly black body" is defined to be one that absorbs all (thermal) radiation incident on it. we want to single out the vital aspect which can be considered as the discovery of quantum mechanics.1 Origin and Discovery of Quantum Mechanics The observation made by Planck towards the end of 1900. The best approximation to such a body is a cavity with a tiny opening (of solid angle d£l) and whose inside walls provide a diffuse distribution of the radiation entering through the hole with the intensity of the incoming ray decreasing rapidly after a few reflections from the walls. the amount of radiation absorbed by a body is equal to the amount the body 1 . Instead.

energy per unit volume) of the radiation (i. A being the wave-length of the radiation.. radiators. 1.38 x 1(T 23 J K'1.1 Absorption in a cavity.l ) where x = ^ = ^ . u(u. y J c 3 \ex . The (equilibrium) radiation of the black body can be determined experimentally by sending radiation into a cavity surrounded by a heat bath at temperature T. It was found that one expression agreed well with observations in the region of small A (or AT). T)du is the mean energy density (i.2 CHAPTER 1.3 4 J s. and the other in the region of large A (or AT). the formula (to be explained) u(u. The parameters k and h are the constants of Boltzmann and Planck: k = 1. How did Planck arrive at the expression (1.626 x 10 . Black bodies as good absorbers are therefore also good emitters. (1.e.T) = 2*?£(-?-)kT.e.2) and the . kT kXT (1. v + dv in equilibrium with the black body at temperature T.1) c is the velocity of light with c = u\.1) containing the constant h by treating the radiation in the cavity as something like a gas? By 1900 two theoretically-motivated (but from today's point of view incorrectly derived) expressions for u(u. (1. i.e.e. Let us look at the final result of Planck. h = 6. i. and then measuring the increase in temperature of the heat bath.T) = dv3e-C2U/T. Introduction emits.1) ' y Here u(v. T) were known and tested experimentally. of the photons or photon gas) in the cavity with both possible directions of polarization (hence the factor "2") in the frequency domain v. These expressions are: (1) Wien's law. Fig. In Eq.

1.2 Distributing quanta (dots) among oscillators (boxes). that the formulas (1. so that W represents the number of possible ways of distributing the number P := NU/e of energy-quanta ("photons". Planck now imagined a number T of oscillators V or iV oscillating degrees of freedom. discretization begins to enter. (x large). To this end he considered Boltzmann's formula S — klnW for the entropy S. exp(x) ~ 1+x) and "large" (exp(—x) < 1).3) are contained in Eq. C2.47TZ/ 2 {x small). where the Fig. Indeed. 3 (1. Considering Eq. Here W is a number which determines the distribution of the energy among a discrete number of objects. Moreover Planck assumed that these oscillators do not absorb or emit energy continuously. "small" (i. When Planck had found this expression. in the first place Planck had tried to find an expression linking both.e. This is the point. we obtain: u(i/.1) as approximations. . every oscillator corresponding to an eigenmode or eigenvibration or standing wave in the cavity and with mean energy U. (1.T) 2^^kT. and he had succeeded in finding such an expression of the form u(v.2) and (1.3) Ci. C3 being constants. which are indistinguishable) among the N indistinguishable oscillators at .1 Origin and Discovery of Quantum Mechanics (2) Rayleigh-Jeans law: u(i>.T) = 2^C3T.T) = av e6"/T-i' where a and b are constants. and thus over a discrete number of admissible states. 1. T) u(i/. (1. he searched for a derivation. but — here the discreteness appears properly — only in elements (quanta) e. e xhv. We see.1) in regions of a.

Oberhettinger [181]. p. M.g.6) Fig. = 1/T).g. Agreement with Eq.343(2).4 CHAPTER 1. as for small values of e). e. p. v + dv. We visualize the iV oscillators as boxes separated by N — 1 walls. e = his. formula 8. as in most other Tables.4) IniV! ~ JVlniV-iV + O(0).2.3. one obtains (cf. i. Magnus and F. (1. U{T) being the average energy emitted by one oscillator. (1. .e. W. (1. Then W is given by w = (N With the help of Stirling's formula* {N + p-iy.e. . 940. 1.T)dv. with the quanta represented schematically by dots as indicated in Fig. there not called Stirling's formula. I. Gradshteyn and I. Introduction temperature T. 1. We now obtain the energy density of the radiation. S. and the second law of thermodynamics ((dS/dU)v Example 1.1) u = vmrri (L5) as the mean energy emitted or absorbed by an oscillator (corresponding to the classical expression of 2 x kT/2. u(i>.7) *See e. i. N -* oo.2) requires that e ex is.1)!P! (1.3 Comparing the polarization modes with those of a 2-dimensional oscillator. Ryzhik [122]. The Stirling formula or approximation will appear frequently in later chapters. h = const. by multiplying U with the number nvdv of modes or oscillators per unit volume with frequency v in the interval v. with riydu — 2 x —w—dv.

We obtain the expression (1. so that . where^ 2 [2-KUY .UJ2/C2 + K? = 0. L for i = 1.1). as in electrodynamics. where we have for the electric field E oc elwt \ J eK sin KI^I sin K2X2 sin K3X3 K with the boundary condition that at the walls E = 0 at Xi = 0. . We observe that u(v.3. (1.7) for instance..965 and xmin = 0.. '''From the equation I -\ JW .. The number with frequency v in the interval v.3.1. In terms of A we have u(X.1)) The solutions of this equation are ^max = 4.3 (as for ideal conductors).1.3. is given by .T)dX = ^ehc/*kT_idX.V 2 ) E = 0. KT = I J .8) This is Planck's formula (1. so that (lvL\A 0 I I = rr. Then L^j = nrii. so that the derivative of u implies (x as in Eq. d ™4*±\IL> — -—dv = nvdv dv dv |_8 3 \ c / 14 8 2 4TTV2 = 3 dv 83 ^ ^ = ^ ^ ' as claimed in Eq.i = 1. as indicated in Fig. (1. dj\l dM . v + dv. 2 2 2 r2 L K — 7T n .2.T) has a maximum which follows from du/dX = 0 (with c = vX).. i.e..1 Origin and Discovery of Quantum Mechanics 5 where the factor 2 takes the two possible mutually orthogonal linear directions of polarization of the electromagnetic radiation into account. ..7). The number of possible modes (states) is equal to the volume of the spherical octant (where n^ > 0) in the space of n^.2. nvdv per unit volume. rii = 1.2. We obtain therefore u^T) = Unv = 2^-fJ^—i. (1.UJ = 2-KV.

—v <L9) We observe that for T — 0 (i. However. If an oscillator with thermal weight or occupation probability exp(—nx) can assume only discrete energies en = nhu. We are not dealing with the linear harmonic oscillator familiar from mechanics here. . We shall see later that in the case of this linear harmonic oscillator the energies En are given by En= (n + -jhu= U + I W h=—. . Since temperature originates through contact with other oscillators. which had also been known before Planck's discovery. We therefore examine such contradictions next. .6 The first value yields Amax-T = CHAPTER 1. n = 0. which can not be eliminated without a different approach. which can assume the discrete energies en — nhv. that it is easier to consider first the case of T = 0.l. This is Wien's displacement law. but one can expect an analogy.2 (1.10) Thus here the so-called zero point energy appears. . and from which the constant h can be determined from the known value of k.8) could be derived much more easily in the context of statistical mechanics. One expects. i.e. One might suppose now.10). that we arrive at quantum mechanics simply by discretizing the energy and thus by postulating — following Planck — for the harmonic oscillator the expression (1. then (with x = hv/kT) its mean energy is En=0e = nX dx ^0 — /ii/— In = hu-f r%e dx 1 — e_x (1 — e~x)z hv . of course. which did not arise in Planck's consideration of 1900. Later it was realized by H. (1. A. . 2 . such a procedure leads to contradictions. ra = 0.965K = Const. Introduction he 4. we then have at T = 0 independent oscillators. x — oo) the mean energy vanishes (0 < U < * > oo). Lorentz and Planck that Eq.1. the behaviour of the system at zero absolute temperature. that of an oscillation system at absolute temperature T ^ 0.e. Thus we have a rather complicated system here.

kT/2. around 1926. d .1.1 Solution: Inserting W into Boltzmann's formula and using In TV! ~ A In T — TV.1)! .= .kT This means U is then the classical expression resulting from the mean kinetic energy per degree of freedom.2 Contradicting Discretization: Uncertainties 7 Example 1.1)! .In . We "This is what was effectively done before 1925 in Bohr's and Sommerfeld's atomic models and is today referred to as "old quantum theory".1 ' u~ e .i n . i.InP!] ~ kN The second law of thermodynamics says 1+ 7 ln 1 + ( 7)~7ln7 \au)v For a single oscillator the entropy is s = S/N.1: Mean energy of an oscillator In Boltzmann's statistical mechanics the entropy S is given by the following expression (which we cite here with no further explanation) S = fcln W. where k is Boltzmann's constant and W is the number of times P indistinguishable elements of energy e can be distributed among T V indistinguishable oscillators. with Heisenberg's discovery of the uncertainty relation. so that 1 f ds\ T — \dUjy .+ 1 e \U e u = exp(e/fcT) which for e/kT — 0 becomes > -. we obtain T V S =fc[ln(TV+ P . .ln(TV .2 Contradicting Discretization: Uncertainties The far-reaching consequences of Planck's quantization hypothesis were recognized only later.k dU 1+U\ f ln(l T + U\ - U U k ( e . {NW •• 1)! (TV-1)!P! and P = UN Show with the help of Stirling's formula that the mean energy U of an oscillator is given by U •• exp(e/fcT) .e.. for 2 degrees of freedom. 1. In the following we attempt to incorporate the above discretizations into classical considerations* and consider for this reason socalled thought experiments (from German "Gedankenexperimente").

8

CHAPTER 1. Introduction

shall see that we arrive at contradictions. As an example^ we consider the linear harmonic oscillator with energy E = -mx2 + - w V .
ZJ

(1.11)

Zi

The classical equation of motion dE n — = x(mx + mco x) = 0 permits solutions x = Acos(u>t + S), so that E = -mco2 A2, where A is the maximum displacement of the oscillation, i.e. at x — 0. We consider first this case of velocity and hence momentum precisely zero, and investigate the possibility to fix the amplitude. If we replace E by the discretized expression (1.10), i.e. by En — (n + 1/2)HUJ, we obtain for the amplitude A

A A

^ -=\[Ef+l-

(i i2)

-

Thus the amplitude can assume only these definite values. We now perform the following thought experiment. We give the oscillator initially an amplitude which is not contained in the set (1.12), i.e. for instance an amplitude A with An <A<An+l. Energy conservation then requires that the oscillator has to oscillate all the time with this (according to Eq. (1.12) nonpermissible) amplitude. In order to be able to perform this experiment, the difference AA = An+1 - An must not be too small, i.e. the difference AA =

V mu>

n~V tfAA

n+

£HV

1 2h 2 [l + 0 ( l / n ) ] . mui 4^/n

For m = 2kg, h = i x 10-- 3 4 J s , u = I s - 1 , we obtain lO" 17 [l + 0 ( l / n ) ] meter. 2^

+ H. Koppe [152].

1.2 Contradicting Discretization:

Uncertainties

9

This distance is even less than what one would consider as a certain "diameter" of the electron (~ 10~ 15 meter). Thus it is even experimentally impossible to fix the amplitude A of the oscillator with the required precision. Since A is the largest value of x, where x = 0, we have the problem that for a given definite value of mx, i.e. zero, the value of x = A can not be determined, i.e. given the energy of Eq. (1.10), it is not possible to give the oscillator at the same time at a definite position a definite momentum. The above expression (1.10) for the energy of the harmonic oscillator, which we have not established so far, has the further characteristic of possessing the "zero-point energy" Hu>/2, the smallest energy the oscillator can assume, according to the formula. Let us now consider the oscillator as a pendulum with frequency u in the gravitational field of the Earth. * Then

"2 = f,

(1-13)

where I is the length of the pendulum. Thus we can vary the frequency cv by varying the length I. This can be achieved with the help of a pivot, attached to a movable frame as indicated in Fig. 1.4. The resultant of the tension in the string of the pendulum, R, always has a nonnegative vertical component. If the pivot is moved downward, work is done against this vertical component of R; in other words, the system receives additional energy. However, there is one case, in which for a very short interval of time, 8t, the pendulum is at angle 0 = 0. Reducing in this short interval of time the length of the pendulum (by an appropriately quick shift of the pivot) by a factor of 4, the frequency of the oscillator is doubled, without supplying it with additional energy. Thus the energy En= ( n + - ) fojj becomes I n + - IH2co,

without giving it additional energy. This is a self-evident contradiction. This means — if the quantum mechanical expression (1.10) is valid — we cannot simultaneously fix the energy (with energy conservation), as well as time t to an interval 8t —• 0.§ The source of our difficulties in the considerations of these two examples is that in both cases we try to incorporate the discrete energies (1.10) into the framework of classical mechanics without any changes in the latter. Thus the theory with discrete energies must be very different from classical mechanics with its continuously variable energies.
H. Koppe [152]. See also Example 1.3.

10

CHAPTER 1. Introduction

It is illuminating in this context to consider the linear oscillator in phase space (q,p) with
P2
1

29

E —

1—mco q = const. 2m 2 *

(1.14)

Fig. 1.4 The pendulum with variable length. This equation is that of an ellipse as a comparison with the Cartesian form a2
+

'" b2

reveals immediately. Evidently the ellipses in the (g,p)-plane have semi-axes of lengths 2E b= V2mE. (1.15) a = mw' Inserting here (1.10), we obtain 2(n + l/2)fr^ (1.16) hn = ^2m{n + l/2)^. mar We see that for n — 0,1, 2 , . . . only certain ellipses are allowed. The area enclosed by such an ellipse is (note A earlier amplitude, now means area) An = nanbri or ,( pdq — 2irh I n + '- ]. (1.17b) 2irEn
UJ

2Tih{n+

-

(1.17a)

In the first of the examples discussed above the contradiction arose as a consequence of our assumption that we could put the oscillator initially at

1.2 Contradicting Discretization:

Uncertainties

11

any point in phase space, i.e. at some point which does not belong to one of the allowed ellipses. In the second example we chose n = 0 and thus restricted ourselves to the innermost orbit. However, we also assumed we would know at which point of the orbit the pendulum could be found. Thus in attempting to incorporate the discrete quantization condition into the context of classical mechanics we see, that a system cannot be localized with arbitrary precision in phase space, in other words the area AA, in which a system can be localized, is not nought. We can write this area AA > An+1 -Any'=
(1.17a) 2TT/L

since the system cannot be "between" An+i and An. Since A A represents an element of area of the (q, p)-plane, we can write more precisely ApAq > 2irh. (1.18)

This relation, called the Heisenberg uncertainty relation, implies that if we wish to make q very precise by arranging Aq to be very small, the complementary uncertainty in momentum, Ap, becomes correspondingly large and extends over a large number of quantum states, as — for instance — in the second example considered above and illustrated in Fig. 1.5.

Fig. 1.5 Precise q implying large uncertainty in p. Thus we face the problem of formulating classical mechanics in such a way that by some kind of extension or generalization we can find a way to quantum mechanics. Instead of the deterministic Newtonian mechanics — which for a given precise initial position and initial momentum of a system yields the precise values of these for any later time — we require a formulation answering the question: If the system is at time t = 0 in the area defined by

12 the limits 0 < q < q + Aq, 0<p<p

CHAPTER 1. Introduction

+ Ap,

what can be said about its position at some later time t = T? The appropriate formulation does not yet have anything to do with quantum mechanics; however, it permits the transition to quantum mechanics, as we shall see. Before we continue in this direction, we return once again briefly to the historical development, and there to the ideas leading to particle-wave duality.^

1.3

Particle-Wave Dualism

The wave nature of light can be deduced from the phenomenon of interference, as in a double-slit experiment, as illustrated in Fig. 1.6.

Fig. 1.6 Schematic arrangement of the double-slit experiment. Light of wave-length A from a source point 0 can reach point P on the observation screen C either through slit A or through slit B in the diaphragm placed somewhere in between. If the difference of the path lengths OBP, OAP is n\,n € Z, the wave at P is re-inforced by superposition and one observes a bright spot; if the difference is n\/2, the waves annul each other and one observes a dark spot. Both observations can be understood by a wave propagation of light. The photoelectric effect, however, seems to suggest a corpuscular nature of light. In this effect* light of frequency v is sent onto a metal plate in a vacuum, and the electrons ejected by the light from the plate are observed by applying a potential difference between this plate and another one. The energy of the observed electrons depends only on v and
"See also M.-C. Combourieu and H. Rauch [58]. "This is explained in experimental physics; we therefore do not enter into a deeper explanation here.

1.3 Particle-Wave Dualism

13

the number of such photo-electrons on the intensity of the incoming light. This is true even for very weak light. Einstein concluded from this effect, that the energy in a light ray is transported in the form of localized packets, called wave packets, which are also described as photons or quanta. Indeed the Compton effect, i.e. the elastic scattering of light, demonstrates that photons can be scattered off electrons like particles. Thus whereas Planck postulated that an oscillator emits or absorbs radiation in units of hv = hu>, Einstein went further and postulated that radiation consists of discrete quanta. Thus light can be attributed a wave nature but also a corpuscular, i.e. particle-like, nature. In the interference experiment light behaves like a wave, but in the photoelectric effect like a stream of particles. One could try to play a trick, and use radiation which is so weak that it can transport only very few photons. What does the interference pattern then look like? Instead of bands one observes a few point-like spots. With an increasing number of photons these spots become denser and produce bands. Thus the interference experiment is always indicative of the wave nature of light, whereas the photoelectric effect is indicative of its particle-like nature. Without going into further historical details we add here, that it was Einstein in 1905 who attributed a momentum p to the light quantum with energy E = hv, and both he and Planck attributed to this the momentum

The hypothesis that every freely moving nonrelativistic microscopic particle with energy E and momentum p can be attributed a plane harmonic matter wave ip(r,t) was put forward much later, i.e. in 1924, by de Broglie.t This wave can be written as a complex function ij)(T,t) =Aeik-r-iut,

where r is the position vector, and to and k are given by E — hio, p = /ik. Thus particles also possess a wave-like nature. It is wellknown that this was experimentally verified by Davisson and Germer [64], who demonstrated the existence of electron waves by the observation of diffraction fringes instead of intensity distributions in appropriate experiments.
f

L. de Broglie [39].

14

CHAPTER

1.

Introduction

1.4

Particle-Wave Dualism and Uncertainties

We saw above t h a t we can observe the wave nature of light in one type of experiment, and its particle-like nature in another. We cannot observe both types simultaneously, i.e. the wave-like nature together with the particle-like nature. Thus these wave and particle aspects are complementary, and show up only under specific experimental situations. In fact, they exclude each other. Every a t t e m p t to single out either of these aspects, requires a modification of the experiment which rules out every possibility to observe the other aspect.* This becomes particularly clear, if in a double-slit experiment the detectors which register outcoming photons are placed immediately behind the diaphragm with the two slits: A photon is registered only in one detector, not in b o t h — hence it cannot split itself. Applying the above uncertainty principle to this situation, we identify the attempt to determine which slit the photon passes through with the observation of its position coordinate q. On the other hand the observation of the interference fringes corresponds to the observation of its momentum p.§ Since the reader will ask himself what happens in the case of a single slit, we consider this case in Example 1.2. Example 1.2: The Single-Slit Experiment
Discuss the uncertainties of the canonical variables in relation to the diffraction fringes observed in a single-slit experiment. Solution: Let light of wave-length A fall vertically on a diaphragm Si with slit AB as shown schematicaly in Fig. 1.7.

^y

Ax

Fig. 1.7 Schematic arrangement of the single-slit experiment.
On the screen S2 one then observes a diffraction pattern of alternately bright and dark fringes, in the See, for instance, the discussion in A. Messiah [195], Vol. I, Sec. 4.4.4. Considerable discussion can be found in A. Rae [234].

1.4 Particle-Wave Dualism and Uncertainties

15

figure indicated by maxima and minima of the light intensity I. As remarked earlier, the fringes are formed by interference of rays traversing different paths from the source to the observation screen. Before we enter into a discussion of uncertainties, we derive an expression for the intensity I. Since the derivation is not of primary interest here, we resort to a (still somewhat cunbersome) trick justification, which however can also be obtained in a rigorous way." We subdivide the distance AB = Ax into N equal pieces AP\, P1P2,..., as indicated in Fig. 1.8.

Si

t
Ax
\

»v
"^^J
B ^ ^

*

w

p3

Q

Fig. 1.8 The wave-front

WW.

We consider rays deflected by an angle 9 with wave-front WW' and bundled by a lense L and focussed at a point Q on the screen S2. Since WW1 is a wave-front, all points on it have the same phase, so that light sent out from a source at Q reaches every point on WW1 at the same time and across equal distances. Hence a phase difference at Q can be attributed to different path lengths from Pi,P2,... to WW'. Considering two paths from neighbouring points Pi,Pj along AB, the difference in their lengths is Axsva6/N. In the case of a wave having the shape of the function 2?r sin kr = sin this implies a phase difference given by < ;v = 5 2n Ax sin 6 \ N (1.20)

Just as we can represent an amplitude r having phase 6 by a vector r, i.e. r — |r|exp(iS), we > can similarly imagine the wave at Q, and this means its amplitude and phase, as represented by a vector, and similarly the wave of any component of the ray passing through AP\, P1P2, • • •• If we represent their effects at Q by vectors of equal moduli but different directions, their sum is the resultant OPN as indicated in Fig. 1.9. In the limit N — 00 the N vectors produce the arc of a > circle. The angle 5 between the tangents at the two ends is the phase difference of the rays from the edges of the slit:
27T

5 = 2a =

lim NSN = — A a ; s i n 0 .

(1.21)

If all rays were in phase, the amplitude, given by the length of the arc OQ, would be given by the chord OQ. Hence we obtain for the amplitude A at Q if AQ is the amplitude of the beam at the slit: . length of chord OQ , 2a sin a , sin a A0 , ,,—; =A0 . (1.22) 7^-=A0 length of arc OQ a2a "S. G. Starling and A. J. Woodall [260], p. 664. For other derivations see e.g. A. Brachner and R. Fichtner [32], p. 52.

16
The intensity at the point Q is therefore

CHAPTER

1. Introduction

h = h
where from Eq. (1.21)
•K ,
.

a = -flisinB = -Aisint A 2

.

k

Fig. 1.9 The resultant OPM of N equal vectors with varying inclination.
Thus the intensity at the point Q is

Ie=Io

sin 2 (fcAx sin6(/2) (fcAx sin 0/2) 2

(1.23)

The maxima of this distribution are obtained for fcAxsinfl = (2n + 1 ) - , i.e. for A x sin0 = (2n + 1 ) - = (2n + 1) and minima for 1 fcAx sin # = 7171", i.e. for A x i
: TlA.

A

(1.24a)

(1.24b)

The maxima are not exactly where only the numerator assumes extremal values, since the variable also occurs in the denominator, but nearby. We return to the single-slit experiment. Let the light incident on the diaphragm S i have a sharp momentum p = h/\. When the ray passes through the slit the position of the photon is fixed by the width of the slit A x , and afterwards the photon's position is even less precisely known. We have a situation which — for the observation on the screen S2 is a past (the uncertainty relation does not refer to this past with px = 0, rather to the position and momentum later; for the situation of the past A x A p is less than h). The above formula (1.23) gives the probability that after passing through the slit the photon appears at some point on the screen 52. This probability says, that the photon's momentum component px after passing through the slit is no longer zero, but indeterminate. It is not possible to predict at which point on S2 the photon will appear (if we knew this, we could derive px from this). The momentum uncertainty in the direction x can be estimated from the geometry of Fig. 1.10, where 6 is the angle in the direction to the first minimum: Apx = 2px =2psin6 = — sing.
A

(1-25)

From Eq. (1.24b) we obtain for the angle 9 in the direction of the first minimum Ax sin 6 = A,

1.4 Particle-Wave Dualism and Uncertainties

17

Fig. 1.10 The components of momentum p.
so that Ax Apx = 2h. If we take the higher order minima into account, we obtain AxApx A x Apx > h. We see that as a consequence of the indeterminacy of position and momentum, one has to introduce probability considerations. The limiting value of the uncertainty relation does not depend on how we try to measure position and momentum. It does also not depend on the type of particle (what applies to electromagnetic waves, applies also to particle waves). = 2nh, or

1.4.1

Further thought experiments

Another experiment very similar to that described above is the attempt to localize a particle by means of an idealized microscope consisting of a single lense. This is depicted schematically in Fig. 1.11. light

Fig. 1.11 Light incident as shown. The resolving power of a lense L is determined by the separation Aa; of the first two neighbouring interference fringes, i.e. the position of a particle is at best determinable only up to an uncertainty Ax. Let 9 be one half of the angle as shown in Fig. 1.11, where P is the particle. We allow light to fall in the direction of —x on the particle, from which it is scattered. We assume a quantum of light is scattered from P through the lense L to S where it

18

CHAPTER 1. Introduction

is focussed and registered on a photographic plate. For the resolving power Ax of the lense one can derive a formula like Eqs. (1.24a), (1.24b) . This is derived in books on optics, and hence will not be verified here, i.eJ Ax~-±-. (1.26a) 2 sm 0 The precise direction in which the photon with momentum p = h/X is scattered is not known. However, after scattering of the photon, for instance along PA in Fig. 1.11, the uncertainty in its x-component is 1h Apx = 2psin0 = — sine A (1.26b)

(prior to scattering the x-components of the momenta of the particle and the photon may be known precisely). From Eqs. (1.26a), (1.26b) we obtain again Ax Apx ~ h. The above considerations lead to the question of what kind of physical quantities obey an uncertainty relation. For instance, how about momentum and kinetic energy T? Apparently there are "compatible!'1 and "incompatible" quantities, the latter being those subjected to an uncertainty relation. If the momentump x is "sharp", meaning Apx = 0, then also T = px2/2m is sharp, i.e. T and px are compatible. In the case of angular momentum L = r x p, we have |L| = |r||p'| = rp', where p' = p sin 0. As one can see, r and p' are perpendicular to each other and thus can be sharp simultaneously. If p' lies in the direction of x, we have Ax Ap' > h, where now Ax = rAip, ip being the azimuthal angle, i.e. rAipAp'>h, i.e. ALA<p>h.

Thus the angular momentum L is not simultaneously exactly determinable with the angle </?. This means, when L is known exactly, the position of the object in the plane perpendicular to L is totally indeterminate. Finally we mention an uncertainty relation which has a meaning different from that of the relations considered thus far. In the relation Ax Apx > 0 the
"See, for instance, N. F. Mott, [199], p. 111. In some books the factor of "2" is missing; see, for instance, S. Simons [251], p. 12.

1.5 The Complementarity

Primciple

19

quantities Ax, Apx are uncertainties at one and the same instant of time, and x and px cannot assume simultaneously precisely determined values. If, however, we consider a wave packet, such as we consider later, which spreads over a distance Ax and has group velocity VQ = p/m, the situation is different. The energy E of this wave packet (as also its momentum) has an uncertainty given by

AE « -T^Ap = vGAp. op
The instant of time t at which the wave packet passes a certain point x is not unique in view of the wave packet's spread Ax. Thus this time t is uncertain by an amount
At w Ax

vG

.

It follows that AtAE^AxAp>h. (1.27) Thus if a particle does not remain in some state of a number of states for a period of time longer than At, the energy values in this state have an indeterminacy of |Ai£|.

1.5

Bohr's Complementarity Principle

Vaguely expressed the complementarity principle says that two canonically conjugate variables like position coordinate x and the the associated canonical momentum p of a particle are related in such a way that the measurement of one (with uncertainty Ax) has consequences for the measurement of the other. But this is essentially what the uncertainty relation expresses. Bohr's complementarity principle goes further. Every measurement we are interested in is performed with a macroscopic apparatus at a microscopic object. In the course of the measurement the apparatus interferes with the state of the microscopic object. Thus really one has to consider the combined system of both, not a selected part alone. The uncertainty relation shows: If we try to determine the position coordinate with utmost precision all information about the object's momentum is lost — precisely as a consequence of the disturbance of the microscopic system by the measuring instrument. The so-called Kopenhagen view, i.e. that of Bohr, is expressed in the thesis that the microscopic object together with the apparatus determine the result of a measurement. This implies that if a beam of light or electrons is passed through a double-slit (this being the apparatus in this case) the photons or

20

CHAPTER 1. Introduction

electrons behave like waves precisely because under these observation conditions they are waves, and that on the other hand, when observed in a counter, they behave like a stream of particles because under these conditions they are particles. In fact, without performance of some measurement (e.g. at some electron) we cannot say anything about the object's existence. The Kopenhagen view can also be expressed by saying that a quantity is real, i.e. physical, only when it is measured, or — put differently — the properties of a quantum system (e.g. whether wave-like or corpuscular) depend on the method of observation. This is the domain of conceptual difficulties which we do not enter into in more detail here.*

1.6

Further Examples

Example 1.3: The oscillator with variable frequency
Consider an harmonic oscillator (i.e. simple pendulum) with time-dependent frequency w(t). (a) Considering the case of a monotonically increasing frequency w(t), i.e. dui/dt > 0, from LUQ to u>', show that the energy E' satisfies the following inequality Eo < E' < —y-Eo, w o (1.28)

where Eo is its energy at deflection angle 6 = 0Q. Compare the inequality with the quantum mechanical zero point energy of an oscillator. (b) Considering the energy of the oscillator averaged over one period of oscillation (for slow, i.e. adiabatic, variation of the frequency) show that the energy becomes proportional to ur. What is the quantum mechanical interpretation of the result? Solution: (a) The equation of motion of the oscillator of mass m and with variable frequency co(t) is mx + mui (t)x = 0, where, according to the given conditions, — > 0, dt
dui

u> = u>o a,t t = 0, w = ui at t = T,

.

_

i.e. io{t) grows monotonically. Multiplying the equation of motion by x we can rewrite it as
1 , 1 w -mx • 2-\—mui 2 (t)x 2 W 2 2
2 1 n —mx 2 ^ = 0. 2 dt

dt The energy of the oscillator is l „ E — -mx1 2

l 0 , z l 29 + -mu} (t)x , y 2 '

so that

dE 1 —- = -mxz dt 2

9

dJ1 > 0, dt ~

(1.29) v '

where we used the given conditions in the last step. On the other hand, dividing the equation of motion by UJ2 and proceeding as before, we obtain - [mx + mur (t)x\ = 0, i.e.
1 1 1 — —--mx -2 H—mx 2 dt u22 2

1 mx 2

2d

— . 2 dt\u)

"See e.g. A. Rae [234]; P. C. W. Davies and J. R. Brown [65].

1.6 Farther

Examples

21

d ( E\ 1 , d / 1 \ — — ) = -mx2 — ( — = dt\uJ2J 2 dt\u>2)

mx2 dw < 0, UJ3 dt ~

(1.30) v

where the inequality again follows as before. We deduce from the last relation that 1 dE —2 u} dt Integrating we obtain fE' dE ^ f"'2 / < /
2 dw2 . _ E , _, n • n 2 ,a,' —7T, i-e. [[InE f„ [ lna; 2J u 22 , i.e. 2 E < E

E dw2 < 0, UJ4 dt ~

i.e.

1 dE 1 dw2 < —2 . E dt ~ u) dt

(1.31)

JEo
or

E - Jui

u, '

> °-

"o

E0 ~ UJ22

' ^ u'2 — < —-

E'

<

-^-EQ.

Next we consider the case of the harmonic oscillator as a simple pendulum in the gravitational field of the Earth with

e + wge-o, ^o = f.
and we assume that — as explained in the foregoing — the length of the pendulum is reduced by one half so that J2 = 2 - =2u;2. Then the preceding inequality becomes E' < 2E0. In shortening the length of the pendulum we apply energy (work against the tension in the string), maximally however EQ . Only in the case of the instantaneous reduction of the length at 6 = 0 (the pivot does not touch the string!) no energy is added, so that in this case E' = EQ, i.e. E0 < E' < 2E0. We can therefore rewrite the earlier inequality as , u'2 < -5-Bo.

E0<E'

Just as the equality on the left applies in the case of an instantaneous increase of the frequency (shortening of pendulum string), so the equality on the right applies to d = # m a x . In classical physics we have 1 -2 1 —mx H—? 2 2 If no energy is added, but u> is replaced by 2a; 2 , then x changes, and also x, i.e. x becomes shorter and x becomes faster. The quantum mechanical expression for the energy of the oscillator in its ground state is the zero point energy E = Hu>/2. Here in quantum physics we cannot change UJ without changing E. This means if we double tj instantaneously (i.e. in a time interval A t — 0) > without addition of energy (to fojj/2), then the result E' = Tiw is incorrect by A E = HUJ/2. We cannot have simultaneously A t — 0 and error A E = 0. > (b) The classical expression for E contains u> quadratically, the quantum mechanical expression is linear in OJ. We argue now that we can obtain an expression for E c i a s s i c a l by assuming that w(t) varies very little (i.e. "adiabatically") within a period of oscillation of the oscillator, T. Classical mechanics is deterministic (i.e. the behaviour at time t follows from the equation of motion and

22

CHAPTER

1.

Introduction

the initial conditions); hence for the consideration of a single mass point there is no reason for an averaging over a period, unless we are not interested in an exact value but, e.g. in the average

(lmX/ = ^I0 \mx2{P>dtx2(t) = UJ2X2 and hence

(L32)
-E i.e. in

If u> is the frequency of x(t), i.e. x(t) oc cosujt or sinu>t depending on the initial condition, then l-mw2x2\ (as follows also from the virial theorem). Eq. (1.29), for mx2 / 2 the mean value = (-mx2\ =

If we now insert in the equation for dE/dt,

/I 1£ 2\ ( - mx ) = , \ 2 / 2u2' we obtain dE_/l

~dt ~ \2mX
and hence

2\dw

2

_Edw2

dE _ 1 dw2 _ du

/ ~dT ~ 2w2~dT'
E — = const. w

°r

~E ~ ~iU> ~~ ~u7'

In quantum mechanics with E = hw{n + 1/2) this implies H(n + 1/2) = const., i.e. n = const. This means, with slow variation of the frequency the system remains in state n. This is an example of the so-called adiabatic theorem of Ehrenfest, which formulates this in a general formJ

Example 1.4: Angular spread of a beam
A dish-like aerial of radius R is to be designed which can send a microwave beam of wave-length A = 2irh/p from the Earth to a satellite. Estimate the angular spread 6 of the beam. Solution: Initially the photons are restricted to a transverse spread of length A x = 2R. From the uncertainty relation we obtain the uncertainty /\px of the transverse momentum px as Apx ^ h/2R. Hence the angle 0 is given by

~~ p

2R\2nh)

~ A-KR'

See e.g. L. Schiff [243], pp. 25 - 27.

Chapter 2

Hamiltonian Mechanics
2.1 Introductory Remarks

In this chapter we first recapitulate significant aspects of the Hamiltonian formulation of classical mechanics. In particular we recapitulate the concept of Poisson brackets and re-express Hamilton's equations of motion in terms of these. We shall then make the extremely important observation that these equations can be solved on the basis of very general properties of the Poisson bracket, i.e. without reference to the original definition of the latter. This observation reveals that classical mechanics can be formulated in a framework which permits a generalization by replacing the c-number valued functions appearing in the Poisson brackets by a larger class of quantities, such as matrices and operators. Thus in this chapter we attempt to approach quantum mechanics as far as possible within the framework of classical mechanics. We shall see that we can even define such concepts as Schrodinger and Heisenberg pictures in the purely classical context.

2.2

The Hamilton Formalism

In courses on classical mechanics it is shown that Hamilton's equations can be derived in a number of ways, e.g. from the Lagrangian with a Legendre transform or with a variational principle from the Hamiltonian H(qi,Pi), i.e.
rt2 r
6

/

^2PiQi-H(qi,Pi) dt = 0,

where now (different from the derivation of the Euler-Lagrange equations) the momenta pi and coordinates qi are treated as independent variables. As
23

this expression is simply a functional determinant. A system consisting of several mass points is therefore described by a number of such variables.4) as the generalization of Eqs.p% are therefore again observables. whereas the velocity requires observations of space coordinates at different times. since . the standard reference for the application of Poisson brackets is the book of P. It was only with the development of quantum mechanics by Heisenberg and Dirac that Poisson brackets gained widespread interest in modern physics. Hamiltonian Mechanics is wellknown.24 CHAPTER 2. the equation of motion of the observable u.g. which can be observed directly at time t. chapter VIII. S »(«. x^fdu. (2.^ ^ j . as mass times velocity. One can verify readily that Eq.pi) of qi. 6t->0 5t Real quantities which are directly observable are called observables. Rather. Pi has to be considered as an independent quantity. One now defines as (nonrelativistic) Poisson bracket the expression^ With this definition we can rewrite Eq. (2. qi(t + 6t) . (2.1). chapter VII. (2. du \ x^/dudH du dH\ . (2.) = £ [wm + WiK) = £ [WiWi .4) contains as special cases the Hamilton Eqs.1) as d . dH In this Hamilton formalism it is wrong to consider the momentum pi as mqi.qi(t) qi = hm f . one obtains the Hamilton equations* • OH . We can therefore consider Eq. ^As H. i.Pi.e.t). A.n n. (2. Compared with an arbitrary function f(qi.1). H. (2.P. Goldstein [114] remarks at the end of his chapter VIII. the entire time-dependence of observables u(qi. M.2) as This equation is. All functions u(qi. . Goldstein [114]. It suggests itself therefore to consider more closely the properties of the symbols (2.3). The total time derivative of u can therefore be rewritten with the help of Eqs. (2..1).2) If we have only one degree of freedom (i = 1). The following properties can be verified: *See e. which all together describe the state of the system. . in analogy with Eqs.Pi) is contained implicitly in the canonical variables q^ and pi. Dirac [75].

which combines the Hamilton equations. (2. The original definition of the Poisson bracket will not .Qk} = 0.B}C + B{A. (2.2.5d) is useful in calculations. {pi. Later we shall consider noncommuting quantities. for example. a i S i + a2B2} = ax{A. that of the linear harmonic oscillator. 25 (2. i. (2. (2. As an example we consider a case we shall encounter again and again. B2}.2 The Hamilton Formalism (1) Antisymmetry: {A.5d) above. C}} + {B.C}. A}} + {C.5b) (3) complex conjugation (note: observables are real. B}.BC} (5) Jacobi identity: {A.5e) = {A.3) of the Poisson bracket.B}. (2. {qi.5a) (2.6) We can now show.A}.e.Pi. then the ordering is taken as in (2. can be solved solely with the help of the properties of Poisson brackets and the fundamental Poisson brackets (2. but could be multiplied by a complex number): {A. Since Eqs. it is irrelevant whether we write {A.5c) The first three properties are readily seen to hold. If.B} = -{B. that the very general Eq.Pk} = 5ik.B}* (4) product formation: {A. like here. the Poisson bracket {A.Pk} = 0.B}C or C{A.6) give the values of these. where A and B are arbitrary observables. B} is completely evaluated.6).5d) = {A*. Bx} + a2{A.4). These are {Qi. we expand A and B in powers of qi and pi and apply the above rules until only the fundamental brackets remain. If we evaluate the Poisson brackets for qi. (2) linearity: {A. in other words without any reference to the original definition (2. we obtain the fundamental Poisson brackets. (2. {B.B*}. B}} = 0. we wish to evaluate {A. {A. {C. Property (2. As long as we are concerned with commuting quantities.

. or q(t) = qo+ Pot .-qot2 .H}.. from which we infer that q(t) — qocost + posint. (2. Since constants are also irrelevant in this context. we consider as Hamiltonian the function H(q. Pi—> Pi = Pi(q. (2. q = {q. These are transformations qi—>Qi = Qi(q. Hamiltonian Mechanics be used at all.H}.4) we have for u = q.\(p2 + q2)} = l({q.11a) 'q' = -q.7) q = [q..9) and (2.q2}) = = 2i{q.11b) (2.8b) p=-q.10) we deduce q = p = -q. Then we obtain: (2.8a) and use the properties of the Poisson bracket and Eqs.9) Similarly we obtain from Eq.8b) We insert (2. q + q = o..26 CHAPTER 2.p}p + p{q. (2.t).P2} + {q. and Pi are ordinary real number variables and that H(q. (2. (2.p) = ±(p2 + q2). and P={p.8a) (2.7) into (2.10) In classical mechanics one studies also canonical transformations.yPot3 + •••• (2. (2.12) . In the evaluation one should also note that the fact that g. "4' = q.p. From Eqs.p\) P. According to Eq.p.p. (2.6). (2. and so q = -q.p) is an ordinary function is also irrelevant.t).

Eq. Pi^Pi=Pi(Q. for which Hamilton's equations hold.P is canonical in the sense defined above. as {A.e. *H.p = {A. i. P) exists.14) With the help of the definition (2.12) Qi—>qi = qi{Q. (2. (2. {Qi. {qi. Of course. (2. Example 2. (2.B}q. {PhPk} = 0.t).Pk} = 0.15a).1: Canonical invariance of Poisson bracket Assuming the invariance of the fundamental Poisson brackets under canonical transformations Qj = Qj(Q'P)>Pj = Pj{Q>P). i.pk} = 5ik.3 deals with the relativistic extension.B}q.e.t).2.p <-> Q. {qi. verify that the Poisson bracket of two observables A and B is invariant.2 below contains a further illustration of the use of Poisson brackets. The proof requires the invariance of the fundamental Poisson brackets under canonical transformations. B} of two observables A and B in terms of either set of canonical variables.1 we verify only Eq.* Hence in Example 2.2 The Hamilton Formalism 27 for which the new coordinates are also canonical.3) we can now express the Poisson bracket {^4. i.13) We write the reversal of the transformation (2. (2. In classical mechanics we learned yet another important aspect of the Hamilton formalism: We can inquire about that particular canonical transformation.15a). this transformation is described precisely by the equations of motion but we shall not consider this in more detail here.15a) °raS {AiB}Q.Pi back to their constant initial values. Example 2. {QhPk} = Sik. i.Qk} = 0. _ax p__dK_ (2.B}Q>P.qk} = 0. . .P. and Example 2. that (dropping the subscripts therefore) {Pi.e. which transforms qi. which means that a Hamilton function K(Q.P. Goldstein [114].P One can then show that {A. i. those at a time t — 0. chapter VIII.P- provided the transformation q.15b) The proof of the latter invariance is too long to be reproduced in detail here but can be found in the book of Goldstein.e.e.

1 „ H = p + m0gq and solve the canonical equations with Poisson brackets for initial conditions q(0) = qo.E(t).15b) dA {Qk.p-^ "Pk.p^— + {A.F}r ~di d~E ~ d~E~8t Consider F = H(q. p. (2.p = J2 d~Fk Replacing in the above A by P and B by A.Qj}q.A}q.28 CHAPTER 2.P-^pr. dA {Qk. § See P. Qk}q.( 9A = {Pk. we obtain analogously dA dQk' Inserting both of these results into the first equation. .Pj}q.s F 5 7 r ={A. {A. Mittelstaedt [197]. we obtain dA {Qk. Replacing here A by Q and B by A.q/c) and (E. their product Et — qp being relativistically invariant. § E x a m p l e 2.3: Relativistic Poisson brackets By extending qi.B}q. V V °Qk dPk dPk dQk J E x a m p l e 2.15a) r„ ™ v . The relativistic Poisson bracket (subscript r) therefore becomes du dF dq dp du dF dp dq du &F _ du dF ' {u.p-^v dP. OQk Pk}q. Solution: Relativistically we have to treat space and time on an equal footing.+ dQ. Thus whenever q and p are multiplied. Thus we extend q and p to space-time vectors (t.p = dB dA dB \ rA 1 {A'B^ E b r s r .pc). 236.A}q.p) .B}QIP. we obtain as claimed by Eq. we have —Et. Hamiltonian Mechanics S o l u t i o n : U s i n g t h e definition of t h e P o i s s o n b r a c k e t a p p l i e d t o ^4 a n d B w e h a v e r „ „•.p(0) = poSolution: The solution can be looked up in the literature.pt to four-vectors (in a (1 + 3)-dimensional space) define relativistic Poisson brackets.p v ^ (9A dB ^ | _ _ *-? V dqj dpj dA 8B —— dpj dqj 8B_dI\\ dPk dpj J _ 8A_f^B_dQk dpj \ 8Qk dqj dB 8Pk dPk dqj = E E k dAL/'^B_dQk dqj \ dQk dpj {A. (2.2: Solution of Galilei p r o b l e m w i t h Poisson brackets Consider the Hamiltonian for the free fall of a mass point mo in the gravitational field (linear potential).

dudH s l u . one obtains Gi with q = q((lo. dE .t). We consider first the a priori weighting or a priori probability. which is the probability of a particle having a coordinate q between q and q + Aq and a momentum p between p and p + Ap.2.to. where dr is the difference of proper time given by dudH 1 du dE(t) du — = 1 du .p). but partial derivatives of F do not vanish. Of course.3 Liouville Equation.e.y. and the space spanned by the entire set of canonical coordinates is described as its phase space. Instead we assume a case in which we know only that the system is located in some particular domain of phase space. g.e.14) and area A of the phase space ellipse given by Eq.. g oc AqAp. of course. Probabilities 29 (This is.3 2.t). I . We distinguish in the following between two kinds of probabilities. since H is expressed as a function of q and p. to . numerically zero._. (2. we have A = (p apaq — J .p) to G\{q.Pi are the coordinates of some mass point m. 2TTE UJ and hence g oc — . if qo.p) around some point qo. in the case of the linear oscillator with energy E given by Eq. and E as a function of t).3. (1. (*.' ±=j1V c \dtj' -u^. i. This probability is evidently proportional to AqAp.po is a point on Go.17a).p) . H(q. it is the equations of motion which lead from Go(q. so that Go(qo..po. Since Hamilton's equations give a continuous map of one domain onto another. But now we consider a system whose phase space coordinates are not known precisely. c dt 2 2 w^ du du dr .1 Liouville Equation. du q-\ P = —. i.E(t)}r = Hence at Relativistically we really should have clu/dr.po) = Gi(q..p). and at time t > to in a domain G\(q. Probabilities Single particle consideration We continue to consider classical mechanics in which the canonical coordinates qi.dt y/l - qZ/c2' 2. Let us assume that at some initial time to the system may be found in a domain Go(q..)•'=(*)*-*£. (1.Po. rrr ..Po. du . also boundary points of one domain are mapped into boundary domains of the other. p= p(qo.16) For example. .t0. .p). Then .

14) t o (1. dt dq dq dp dp d2H dqdp d2H = 0.4: Liouville's theorem Show that A q A p is independent of time i. dpdq and similarly dt = — Ap.4.30 CHAPTER 2. dt dq and with with Hamilton's equations (2. Pi 2 / \. Thus g must be independent of t. J0=0 Hence g oc 8n2IdE. — dp A A — In(AqAp)s = — + — = Example 2. this has the same value at a time to. Je=0 .eded<t> = 8TT2IE. dq Aq dq 2 dq Aq dq 2 qH to the right and q to the left. Example 2. dt dt Aq d ( A p ) dt ' Ap Here d(Aq)/dt is the rate at which the q-walls of the phase space element move away from the centre of the element./..1): d . as at a time t'0 ^ to • Solution: We consider -dln(A9AP)-rf(A<Z) ' . which means. as is demonstrated by Liouville's theorem in Example 2. Show that the total volume of phase space covered for constant E is 8n2IE. ? « + •sin 2 6>/' 21E 2IEsin2e' in spherical polar coordinates. = 2TrIEsm6. Example 2. Solution: Integrating over the angles we have =2TT fe=7r 2frEsin.5 thereafter provides an illustration of the a priori weighting expressed in terms of energy E. Hence from the difference: — .15) — an ellipse of area § dpgdp. the (pg.p^. (1. Hamiltonian Mechanics If g depended on time t it would be dynamical and would involve known information about the particle. and hence g oc %ir2IdE.— = — Aq.5: A priori weighting of a molecule If the rotational energy of a diatomic molecule with moment of inertia / is 1 / 2 . in view of this independence it can be expressed in terms of the conserved energy E.)-curve for constant E and $ is — as may be seen by comparison with Eqs.

p. (2.3 Liouville Equation. dn — p(q. leaving the basis of classical mechanics! Hence we set / «w)^ =. We consider the totality of these systems which is described by a density of points p (number dn of points per infinitesimal volume) in phase space. however.19) Thus W is the probability to find the system at time t at q.3.2.p. 2. W=-p(q.p. The total number of systems N is obtained by integrating over the whole of phase space.t)dqdp= 1. (2.Thus we assume a large number of identical sytems.17) F ^GT^^ 0 Fig. i. (2.p + dp.e.p.t)dqdp = N.20) .*).18) With a suitable normalization we can write this / W(q.e. Probabilities 2. by -j-r = P(9»P. Thus dn is that number of systems which at time t are contained in the domain q. whose positions in phase space are characterized by points. it is suggestive to introduce a factor 2-KK with every pair dpdq without. i.t).2 E n s e m b l e consideration 31 We now assume a large number of identical systems — the entire collection is called an ensemble — all of whose initial locations are possible locations of our system in the neighbourhood of the point qo.p. (2. d d 1 P = JJdqidpi.Po.q + dq.1 The system moving from domain Go to domain G\. Since W has the dimension of a reciprocal action.

— if vq(q.a t dt + q+dq.p. 2. In order to derive this equation. t + dt)dqdp. t)dqdp p(q. p + dp G P O q qn-dq Fig. -* q Fig. t + dt)dqdp — p(q.p.e.P dt p(q + dq.32 CHAPTER 2. Hamiltonian Mechanics We can consider 2irh as a unit of area in (here the (1 + l)-dimensional) phase space.3 and establish an equation for the change of the number of points or systems in G in the time interval dt.p) and vp(q. we take into account. i.p. p(q.p.e.3 The region G. how the system moves about in phase space.t)dp( — I . 2.p.2 The ensemble in phase space. In doing this.p) denote the velocities in directions q and p — p{q. we consider the domain G in Fig.e.p / . i. is equal to the number in G at time t plus the number that went into G in the time interval dt minus the number that left G in the time interval dt.t)dp{ -jt Q. The number of points at time t + dt in domain G. We are now interested in how n ov W changes in time. The equation of motion for n or W is the so-called Liouville equation. i. 2. that in our consideration no additional points are created or destroyed.

With Eqs.t)vp(q. vp(q.p.t)vq{q. p.p. 33 Dividing both sides by dqdpdt this becomes p(q.p) .p(q.t)vp(q. (2. (2.p) = q = -g^. .t)} with JW(q.3 Liouville Equation.p. t)dqdp = p(q.p)dtdp +p(q.p(q.p.p)dtdq . . p.p)=p = 3H -—.t) dt {H(q.p(q + dq.p.t) dt p(q.p.22) The generalization to n degrees of freedom is evident: The volume element of phase space is .4) shows that p and u satisfy very similar equations. (2.p) . the probable motion of the system under consideration.p + dp) dp = or | However.p.t)vp(q.p + dp.p(q.21) with Eq.p + dp)dtdq. Probabilities and thus p(q.p + dp.P *' % = iH>P}- ( 2 .p. (2. .t + dt)dqdp — p(q.P)]-|K(Q. put differently.2. . dH Mq.p.21) we can also write dW(q.p.p).p)dtdp . (2.p) dq p(q.19). so that dt ~~dq\P Hence dp) + dp\P ~dq)~ ~~dq~~dp~ + dp~~dq~ ~ { .W(q.t)vq(q + dq.20) and (2.t + dt) .p(q + dq.P)].t)^- = 1. t)vq(q + dq.21 ) This is the Liouville equation which describes the motion of the ensemble or.P. Comparison of Eq. = -|K(9.t)vp(q.t)vq(q.

4).p.p) be an observable.34 CHAPTER 2. i. and this means — since these systems are contained in a finite part V of phase space — that dt We have in particular.e.p). for i<«>-!/«<*p>"w>(^)". 2.1 the area Go is equal to the area G\. (2. We now inquire about the time variation of the expectation value (it) of u. since no systems are created or destroyed.24) since the total derivative is made up of precisely the partial derivatives contained in Eq.p) the following expression: (u)=Ju(q. Hamiltonian Mechanics where is the probability for the system to be at time t in the volume q.4 Expectation Values of Observables Let u = u(q. p. q+dq.p (cf. t) depends explicitly on time t (if determined at a fixed .24).4). (2.p.that the density or probability W(q. The first and most immediate possibility is — as indicated . We shall see that we have two possibilities for this.t)(^-J. Thus in Fig. We deduce from the Liouville equation the important consequence that ^ M = 0.e.p)W(q.po are the initial values of q. 2. We define as expectation value of u(q. With Eq.26) we described the time variation of the observable u(q. p+dp. i. (2.24) implies that p is a constant in time. (-. and hence that equal phase space volumes contain the same number of systems. Example 2. (2. Equation (2. that dtj\y v if qo.

p.31) i.po. that (u) = (u)0. and hence u(q. we can express these in terms of their initial values qo.t). 1 (2. We verify this claim as follows.33) po = f(q.p.Po.p) = uo{qo.Po.t).t)}(^y.p) assumes certain values) that depends explicitly on time.4 Expectation Values.28) = Ju(q.0) = W0(q0. (2.i). (2. we have Qo = g(q. Reversing Eq.t) = = W(g(q0.2. 8.Po.24): W(q. of course.p.^ Solving the equations of motion for q.p){H(q. we can also employ a more complicated consideration. Then Eq.p.p. (2.t)W0(q0. (2.32) In this expression the time t is contained explicitly in the observable u(q. where we used Eq.t). However. We expect.Po.f(q0.t).t). i-e.t). (2. (2. .0) = u0{qo. Sec.e. (2.f(qo. With these expressions we obtain for the expectation value (U)Q: (u)o = Ju0(qo. since W oc p is constant in time according to Eq.8.p.22).27) becomes !<»> - /«(*P>!"W>(^)" (2.p0.t). so that Q = g(qo.29) The distribution of the canonical variables is given by W(q.Po.W(q. Thus we can write. Goldstein [114].t) W(q0.Po) at time t = 0.30) p = f(qo. (2.29).po.p.t).po.po.p) = u(q. and the time variation d(u)/dt is attributed to the fact that it is this probability (that u(q.p0)(^^-J. (2.34) S e e also H. Observables 35 point in phase space). at t = 0.p).t).t).0) =u(g(qo.po. W is the density in the neighbourhood of a given point in phase space and has an implicit dependence on time t.

.t).t).p)})q=g(QO.P0. (2.39) Substituting this into Eq.\„.u{q.30): duo(qQ.31)) W0(q0.t)W "(q0. (cf.p.t) v{g(<j(q.0)=u(q.p.(2.30) u0(g(q.35).t).28).f(q.t) M f 9u\ V °P / P=f(q0.t) .=9(.p).t) dB__ (du\ °P \°PS P=f(qo. (2. i.32).e.u(q. (2.t).p.) Wo(qo.t)\—^\ = (u). / ^fdq0dpc .P. (2.p.36) and (2.t) d t _ (du\ \ d<i dq / P=f(qo.t).p0) = W(q.p.t).37) as had to be shown.t) = (2 30) (2.p)W{q. Taking now the total time derivative of (it)o.f(q.po. (2. we obtain an expression which is different from that in Eq.po.36 CHAPTER 2. [ du0{q0. p = f(<j(q.f(q. (2-40) .Po. we obtain («)o = / u{q. Eq.t).POit)i p=f(qo.32).po.P)}).35) Inserting these expressions into no we obtain uo(qo.p.p.Po.30) Moreover.37) and (2.(dq0dp0\n We deal with the partial derivative with the help of Eq.t)J(q." V " " ™0' -> • • » « » 0 .38) we obtain -£<«)„ = .t). d dt {U)0 = dt. (2.p.o.t).t) (2.t) 0H_ 0 q = - {{H(q.po)(~ .p.t).p.) f / u (q0.29) q = g(g(q.0) u(q. (2.t) dp M du\ ° q 'P=f(qo. (2.25) into Eq. Inserting Eqs.Po.f({H(q.Po. Eq.p. (2.PO.P0.f(g(q. Hamiltonian Mechanics so that on the other hand with Eq.f(q.p).M 27Th i .t).Po)(^^)n.36) = (2.t).t).t).p).P. (2. (2.

and the time variation of (u(q..(2.. described as "Schrodinger picture".p. In the first case.p)) is attributed to the probability W(q. . (2. Alternatively we could deduce from Eqs.p).uW} = J2 i OHd(uW) dpi dqi =£ If for all i: lim Pi->±oo Oqi _9_(dEuW dpi V dqi d fdH uW dqi V dpi (2.p. u}W instead of u{H.p.2. (2.p)}W(q. lim ——uW — 0..45) the Liouville equation. This timedependence is described by the Liouville equation dW(q.p){H(q. x r „.25) and (2.28). Consider {H.28). The considerations we just performed demonstrate that we have two ways of treating the time-dependence: The explicit time-dependence can either be contained in the probability W or in the (transformed) observables. the observable u is treated as a function u(q.43) ——uW = 0.u(q. (2. The phase-space integral of a Poisson bracket like I (2.34) and use (2. so that ~d~t <«>0 = -J{H(q.W} in Eq. / d q d p \ n 2irh J (2.41) and (2.4 Expectation Values.31).p). (2. we obtain {H.41) This expression contains {H.p. dt <«)o v f u(q. uW} = {H.t) of u assuming certain values q and p.p).t)}. u}W + u{H.p).W(q.t) dt {H(q. from the properties of the Poisson bracket.28) and (2.45) in agreement with Eq.42) w-xtf)" ~dHd(uW) dqi dpi vanishes under certain conditions.42) the relation d . ^ „. we obtain zero after partial integration of I and hence from Eqs. . W}.44) iji^ioo dpi (which is reasonable since the density vanishes at infinity). Observables 37 Here we perform the transformation (2.W(q.t) dqdp\n 2-irhJ (2.t)} . However.p.

which.p0.po. " T h e author learned this approach from lectures of H. Hamiltonian Mechanics In the other case. Eq.rt. Koppe [152] at the university of Munich around 1964. which are described as "Schrodinger picture" and "Heisenberg picture"— all this on a purely classical level but with the use of canonical transformations. but does satisfy the usual associative and distributive laws. The time dependence of the expectation values can be dealt with in two different ways.e. the probability of the initial values Wo(qo. (b) As usual a muliplication by a complex number is defined.38 CHAPTER 2. as we observed.** These considerations point the way to a generalization which results if we permit u and W to belong to a more general class of mathematical quantities. which describe the state of a system. the reason being that — since qo. and the equation of motion (2.po) is assumed.po.H(q.p)}. (c) A multiplication of the quantities among themselves is defined.4) of an observable on the other. and probabilities W. Thus we arrive at a more general theory if we define u and W with the following properties: (a) An addition is defined between the quantities. (2. 2.46) We thus also recognize the connection between the Liouville equation.4)) ^ = {«(.5 Extension beyond Classical Mechanics With the above considerations we achieved a general formulation of classical mechanics.p) It = {u(q. This formulation deals with observables u representing physical quantities.t) dt __ ~ (2J30) ( 4) du0(qo. called u Heisenberg picture".F(«.p)}. " This means: Only in the Heisenberg picture dW/dt = 0.. for which the axioms of a commutative group apply." and the explicit time-dependence is transferred into the correspondingly transformed observables Uo(qo.po are constant initial values — we have du0(q0. does not have to be commutative. i. . The equation of motion is then that of an observable.p). (cf. as the equation of motion of an ensemble or of a probability distribution on the one hand.t). (2.t) dt du(q.

In Chapter 9 we attempt a corresponding approach for classical systems with . it is helpful to introduce already at this stage some additional terminology.q} = 0 {p.p] = l. (2. B] := AB — BA in the following way: 'i {q. (2.48) In matrix theory the symbol "trace" has a well-defined meaning. (2. Moreover.q}=0. ox In view of our later considerations. which all apply to (2. therefore. Eq.p} = 0 • — -^ -~[q.49) With these considerations we have reviewed aspects of classical particle mechanics in as close an approach to quantum mechanics as seems possible.) = TV (vu).5 Extension beyond Classical Mechanics 39 Quantities satisfying these properties define a linear algebra. The quantity corresponding to W in quantum mechanics is the so-called "statistical operator'''. We shall then interpret as "canonical quantization" the procedure which allocates to each of the fundamental Poisson brackets (2. and to be able to correlate these with the above classical considerations. can be deduced from the following characteristic properties of a trace. Introducing it here assumes. (d) Tr(ut. (b) TV(cm + j3u) = oTV u + /3Tr v. so that we consider this next. (c) TV (u*u) > 0. for a phase-space integral we define the word or symbol "trace". px -> -in—.2.26)) (u) = Tr(wW).48): (a) TV u* = (Tr «)* = TV^. y:\p.p]=0(2-47) One verifies readily that the commutator relations are satisfied by the differential operator representations qx -> x. by Traceu:=Ju(q. ~[q. That this is the case. Thus we can write the expectation value of an observable u (cf.6) a so-called "commutator''' [A. also written "TV".p)(^y. if u ^ 0. that its use here implies the essential properties it has in matrix theory. also called "density matrix".p} = l {q.

and.e. i. However.e. excepting the Poisson brackets. since gauge fixing (i. a constraint) has to be taken into account. the Poisson brackets require modification to Dirac brackets.40 CHAPTER 2. obtain corresponding results — as one would envisage in view of the expected particle-wave duality in quantum mechanics. electrodynamics. Hamiltonian Mechanics a wave-like nature. . Thus we can now proceed to prepare the ground for the extension of classical mechanics into an operator formulation. it will be shown that in electrodynamics. These aspects will be considered in Chapter 27.

quantum mechanics: The Hilbert space as the space of state vectors representing the states of a physical system.Chapter 3 Mathematical Foundations of Q u a n t u m Mechanics 3. These somewhat abstract considerations — although later in many cases not referred back to — are a necessary prerequisite for the formulation of a mechanics which is not of the c-number type as classical mechanics. if the elements ipi of M satisfy the usual axioms of addition and K 41 . which turn out to be those of the theory today known as quantum mechanics. with the canonical commutation relations or Heisenberg algebra defining the basic product relations. i.e. i.1 Introductory Remarks In Chapter 2 we investigated the algebraic structure of classical Hamiltonian mechanics. Building upon this. 3. we can define the Hilbert space as the space of states of a physical system. In this chapter we therefore introduce important basic mathematical concepts of this non-c-number mechanics. A set M. of measurable quantities. We also introduce in this chapter the concepts of linear functionals and distributions so that we can make free use of the delta distribution and similar objects in later chapters.2 Hilbert Spaces We first recapitulate some fundamental concepts of linear algebra and begin with the axioms defining a linear vector space. = {ipi} is called a linear vector space on the set of numbers I 6 {C}. and selfadjoint operators in this space as representatives of observables.e. We found that the Poisson algebra permits extensions to non-cnumber formulations.

.2) Vectors ip\. (ipi. . - . ^ i = 0 if ^ = 0. If n + 1 elements ^ € M. (3 5c) + a2{ip. . (3.^i) . . ip2 of this space can be associated with a complex number (V'l. —»• IK. n.5b) . if every vector ip E M can be associated with numbers Q .4) The vector space . (3.ip2). with the properties (a* G IK): (^2.42 CHAPTER 3. Mathematical Foundations of Quantum Mechanics multiplication by complex numbers. are linearly dependent.1) aipi + aipj. ./?eK).3) If all on = 0. (aptyi. .5a) (3. if any two elements ip\. (ipi + ipj) + ijjk = ipi + (ipj + ipk). i=l (3.-02)* (hermiticity).ipn are said to be linearly independent. . n exist (not all zero).M.~ip2) '• M. (V>. i = 1. x M. .i = 1. E (3. 2 . f > 0 if V T ^ O . • • • . . so that n 5 > ^ = 0. n is called the dimension of .ipn are said to be linearly dependent. if numbers eti. 2 .^1) = (-01.M is said to be a metric vector space or a pre-Hilbert space. (a. and n is the smallest such number.tp2. the vectors il)i. . such that n ^ = YJCi^i.---.^) called inner product. i. fa. ( n (3. In each case n linearly independent vectors are said to form a basis. (0 : null element and with complex numbers a and j3: a(tpi + tpj) = a{Wi) lipi = = < M).e. A + tpj = tpj + i'i.aiV>i + a 2 ^ 2 ) = ai(ip.ip2.

WA+Ml2 = ll^il 2 + ll^2|| 2 . The distance between two vectors if>i.)> (3-6) i. if Wi.9d) | | V i | | = sup | ( ^ i . (3..7) In addition the following relations hold in a metric space M. linearity in the second component.is defined by d(ipi. meaning one-and-a-halffold linearity).i>2\\2 = 2||'i/'i||2 + 2||'i/'2||2 (parallelogram equation).9b) = 0 (Pythagoras theorem). ^ i ) + A ( ^ i .9a) (3.2 Hilbert Spaces 43 where the asterix * means complex conjugation. The first two properties imply ( a i ^ i + a2ip2. (3-10) (^2.^1) 2 h 11 0 <-%«e + M . »2|| 2 .3.^2)1 < H^ill • 11^211 (Schwarz inequality).e. tp2 £ -M: 1(^1. ^ i ) + A * ( ^ . ^ 2 ) | .2.V') +"2*(V.9c) HV'i + tp2\\2 + \\1p1 .^) = ai*(V'i. antilinearity in the first component (also described as sesquilinearity.*h)--=\\A-H\(3-8) (3. for ip\. for arbitrary A and ip2 ^ 0: (V>i + AV>2.9a) we start from if) = ipi + \if>2 6 M. In order to verify Eq.^ 2 ) = | | ^ | | 2 + 2 ^ i . The norm of the vector ip (pre-Hilbert space norm) is defined as |H|:=(^)1/2. \\1p1 + ^211 < HV'ill + IIV^II (triangle inequality). A V 2 ) + |A|2||V2||2 2 \m\\ llwl For if)2 7^ 0 we set A so that |(^2^l)|2 2 IWI + ll^i||.. ^ ) + |A| 2 (V2.tp2 £ M. (3.rh) (3. (3.9e) 11^11=1 We restrict ourselves here to some remarks on the verification of these wellknown relations. which we can write 0 < ( ^ i .V>i + A</>2) > 0 . (3.V.

\\ih\\. beginning with A = 1 in the second line of Eq. o ^ V i = o.V2) IIV'l||2 + ||V'2||2 + 21(^2.| | ^ l l = (HlMI + | | « 2 . (3. (3. (3. (3.^)1 <IIV>il|. V 2 ) = 0 . i=l * Not all the wave functions we consider in the following and in later chapters are automatically normalized to 1.* Two vectors i f i . (3.10): ll^+^H2 = < < | | ^ | 2 + ||V2||2 + 2K(Vl.9a). ll^ill + llVdl. In verifying the triangle inequality we use this result (3. We also omit the verification of the following properties of the norm of a vector tpi € M with ^ € X . hence verification in each case is necessary.13) the vector is said to be normalized. Mathematical Foundations of Quantum Mechanics 1(^2. so that | | ^ l + ^ 2 | | < | | ^ l | | + ||^2||. . be the set of all column vectors v\ V = (Vi) = I 2 V with complex numbers Vi.11).9c). Examples of metric vector spaces: (1) Let M. a £ K : ll^ill HVill 11^1 +^211 |M| If for a vector tp e M: > = < = 0. H-IHI (3.ii) thus verifying Eq.44 or CHAPTER 3. (3. ^ e M are said to be orthogonal if (</>!. for which CO |2 := V^l^l 2 < 00.12) We omit here the verification of the remaining relations (3.9d).^1)1 ||Vi|| 2 + ||^2|| 2 + 2 | | ^ | | .9e).

5a). . The Schwarz inequality is then oo oo \M\<* ^2\Vi\ ^2\Wj\2. which differ solely on a set of measure zero. Elements of the classes are then called representatives of these classes.[$]):= / JM /(x)* 5 (x)d 3 *. In order to avoid this difficulty.g)= [ /(x)^(x)d3x.e. etc. i. (2) Let M. (3. But this applies also in the case of any function which is nonzero only on a set of measure zero. (3. = C? be the set of all complex-valued integrable functions / ( x ) on 5 C IR3 (in the sense of Lebesgue) for which / VSCR 3 |/(x)| 2 d 3 x < oo.5b). with inner product oo 45 (v. •'^ \ 0 otherwise. is defined by ([/].e.5c)) / ( x ) = 0 = > ( / . i. Eq.3. 2 and so on. and one defines addition and multiplication by complex numbers with respect to these classes. Js the space C? is not yet a metric vector space although for (cf. for which the scalar product. (3. Then L2 is the space of all these equivalence classes.5c).w) :=J2v*Wi. */ x } = / /o for x = 0. all square-integrable functions / which are "almost everywhere equal". are combined to an equivalence class [/] (with space L2). / ) = 0. which satisfies relations (3.2 Hilbert Spaces Then we define v + w := (v{) + (wi) := (vi + Wi). With the scalar product (f.

46 and

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

ll[/]||=0=»[/] = [0],
where [0] is defined as the class of all functions which are almost everywhere zero. This means that functions that differ only on a pointset of Lebesgue measure zero are looked at as identical. Unless necessary, we ignore in the following mostly for simplicity the distinction between C2 and L2. Convergence of sequences in Hilbert space is then called convergence "almost everywhere". With the help of the concept of a norm we can introduce the concepts of convergence and point of accumulation. Definition: A sequence {tpn} € M. is said to converge (strongly) towards tp E M., if the distance \\tp — ipn\\ tends towards zero, i.e. lim | | ^ - V n | | = 0.
n—•oo

(3.14)

The vector ip is then called point of accumulation. The point of accumulation does not have to be an element of A4. If M. contains all of its points of accumulation, the set M is said to be closed. A normalized vector space M. which with every convergent sequence contains a vector towards which the sequence converges, is said to be complete, i.e. if ipn e M. with lim \\ipn - i/jm\\ = 0
m,n—>oo

(called Cauchy sequence), there is a ip 6 M. with ip = lim ipn,
n—>oo

i.e.

lim \\ip — ipn\\ = 0.
n—>oo

(3.15)

Every finite-dimensional vector space (on IK) is complete in the sense of the concept of convergence defined above (so that completeness does not have to be demanded separately). In order to see this, we consider the convergent sequence
n

<Pa = ^2CmiPi,
where i/ji,...,ipn€.A>i ras)

CaieK,

(3.16)

constitute a basis in M- Then (according to Pythagon

nv« - M = i sec™ - c0i)A\\ =YI i c - -c^2'

2

2

n

(3-i?)

3.2 Hilbert Spaces

47

a relation also known as Parseval equation. The convergence of the sequence i/ja implies the convergence of the sequence {Cai} towards a number Cj. Then for the vector
i=l

we have

ll^a-V'II^ElC^-Cil2,
i=i

(3.18)

i.e. that the sequence of the vectors tpa converges towards tp. We thus arrive at the definition of a Hilbert space. Definition: An infinitely dimensional, metric vector space, which is also complete with regard to (strong) convergence, is called a Hilbert space "K. The given definition of a Hilbert space is that usually given in mathematics.t In physics this is generally supplemented by the requirement that the space be separable, i.e. of a countably infinite dimensionality. Naturally Hilbert spaces with a countable basis are the simplest. We supplement the above by referring to the concept of a dense set or subset M of "K. A subset M of "K is said to be dense in "K, if to every / 6 "K there exists a sequence of vectors fn, fn < M, so that fn — f, S > i.e. fn converges strongly to / , implying that every vector / e Ji can be approximated arbitrarily precisely. We consider next some examples. Examples of Hilbert spaces: (1) The hyperspherical functions Yitm(6,(p) define a complete set of basis functions on the unit sphere. Any function f(9,(p) with

[\f(e,tp)\2dn<™
can be written as a convergent series
oo 1=0 /

f{9, ip) = Y, E
m=-l

C

l,mYl,m(0, ip).

(3.19)

For completeness we recall here the definition

(o<p)-twi r(2*+iw-m)!i x v„ sin ™ 0 (±y +m (cos2e _ lV Yl
*i,mW<P)2in

[

47r(Z + m ) !

J

e

sm

\

d 9

)

^cos V

^'

See e.g. N. I. Achieser and L. M. Glasman [3].

48 so that

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

Y0fl = —=,
J Air

1

Yito = \ —cosO,
V 47T

/ 3

Yit±i =

I o

^\—e±tvswt

A Hilbert space contains a complete set of orthonormal basis vectors or a corresponding sequence precisely then if it is separable. (2) On the space L2(0,2n), i.e. on the space of square-integrable functions on the interval [0, 2TT], an orthonormal system, called the trigonometric system, is defined by the functions
1

einx,

±n = 0 , 1 , 2 , 3 , . . . .

(3.20)

/2TT

(3) On the space L2(a,b), where (a, b) is an arbitrary but finite interval, a complete but not orthonormal system is given by

In order to obtain the orthonormalized system, one employs the orthogonalization procedure of E. Schmidt.* The sequence of polynomials thus obtained consists of the Legendre polynomials which are defined on the interval — 1 < x < 1. These polynomials are defined as follows: Po(*) = l, *>„(*) = _ 1 dn —(x2-ir, n = l,2,.... (3.21)

These polynomials satisfy the following normalization conditions, i.e. are orthogonal but are not normalized to 1:
l

/_

Pm(x)Pn{x)dx
l

= 0, (m ^ n),

(3.22a)

and

J' [Pn{x)\2dx = 1 ^

l

.

(3.22b)

(4) By orthogonalization of the following functions
-x2/2
xe~x 2

/2

x2p-x

2

/2

one obtains the following functions defined on the space L2{—oo,oo): ^[x) = ( - l ) n e * 2 / 2 f ^ e - * 2 = Hn{x)e-x2'2 dxn (3.23a)

''This procedure is wellknown in analysis, and hence will not be elaborated on here.

3.3 Operators in Hilbert Space with
/*C5tJ

49

j —(

bn(x)<t>m(x) = 2nn\yft6nm,

(3.23b)

where Hn (x) is the Hermite polynomial of the n-th degree (which we do not go into in more detail at this stage).§

3.3

Operators in Hilbert Space

Having defined the admissible states of a physical system as the vectors which span a Hilbert space, the next step is to introduce quantities representing operations in this space. This is our objective in this section. We begin with a number of definitions. Definition: Let T>A, the domain of definition, be a (dense) subspace of the Hilbert space "K. Then one defines as a linear operator A on "K the mapping A : VA -> H with (a,/3 G C, ^ , ^ e ^ c M ) A(cnl)i + 0rfo) = a(A^i) + /3(At/>2). (3.24b) (3.24a)

Definition: One defines as norm (i.e. operator norm) of the operator A the quantity sup l i M . (3.25) ipevA\{o} WW Definition: An operator A is said to be bounded, if its norm is finite, i.e. \\A\\ < oo. Definition: Two operators A : T>A — "K and B : T>B —>"Kare said to be > equal if and only if Atp = Btp, for every ip G VA and Z>A = T>BExample: An example of a linear operator is given by the differential operator D:= —
d

||A||:=

_.:.LU ^ f./. _ T1 ^ rwith VD = iil>eL*,j-eL*>.

T2

(3.26)

Definition: We define the operations of addition and multiplication of operators by the relations (A + B)tp:=Aip
s

+ Bip, \/i/j<EVA+B = VAnVB,

(3.27a)

Hermite polynomials are dealt with in detail in Chapter 6.

50

CHAPTER 3. Mathematical Foundations of Quantum Mechanics (AB)ip := A(Bip),
V^GPB,

B^eVA.

(3.27b)

Definition: We define operators called commutators as follows: Let A : T>A —> "K, and B : T>B — "K be linear operators in the Hilbert space "K. Then we > define as commutator the expression [A, B] := AB - BA with V[A,B\ = D A n £>B -» ft. (3.28)

Definition: If .A : X^ — IK for i/> 6 T>A\{0}, then ^ is called eigenvector with • respect to the eigenvalue A € C if and only if AV> = \i/>. (3.29)

Very important for our purposes are the concepts of adjoint and selfadjoint operators. Definition: Let A : T>A — IK and ip € P A C IK. Then A^ is called adjoint » operator of A if for A^4> := <jj, <f> € T>Aj, the following relation holds: {A* 4,il>) = (<!>, Ax/,). (3.30)

Definition: The operator A : X>A — ft, is said to be symmetric if and only if >

0 M ^ ) = (MV), V ^ i e P

A

c%

(3.31)

Definition: The operator A, A : X^ — IK, is said to be hermitian or selfad> joint if and only if A = Af, One can verify that: (A*)* = A, (A + S j ^ A t + (AA)+ = A*A , (AB)t = S U * , (A" 1 )* = (A*)" 1 .
f

i.e. D A = D A t

and A ^ = A</>.

(3.32)

(3.33a) fit, (3.33b) (3.33c) (3.33d) (3.33e)

We are now in a position to construct relations between operators A and B in K, which correspond to the relations (2.5a) to (2.5e) of Poisson brackets, however, we omit their verification here: [A,B] = -[B,A], (3.34a)

3.3 Operators in Hilbert Space [A, ai-Bi + a2B2] = ax[A, B{\ + a2[A, B2], [A,B]* = -[A\B\ [A,BC] = [A,B}C + B[A,C], [A, [5, C]] + [B, [C, A}} + [C, [A, B}} = 0.

51 (3.34b) (3.34c) (3.34d) (3.34e)

The last relation is again called a Jacobi identity. Comparison of Eq. (3.34c) with Eq. (2.5c) requires here in the definition of the corresponding quantity the introduction of a factor "i" (see Eq. (2.47)). As important examples we consider the following operators. (1) q3 : Vqj - L 2 (R 3 ). We write sometimes the application of the operator qj to <f> G L2(IR3): (qj4>){x), and we define M)(x) :=arj-0(x). (3.35) We can read this equation as an eigenvalue equation: Operator qj applied to the vector <f> yields the eigenvalue Xj multiplied by <> in the present case on /, 3 R . Since Vqj = {<£ G L 2 (R 3 ) : qj* G L 2 (R 3 )}, we have
^ = ^ t -

Furthermore, for instance for ip, <p G L2(IR1), we have (ip,q<p) = / ip*(x)(q(f))(x)dx = / ip* (x)x<p(x)dx

=

(#,«•

(3.36)

Since for the adjoint operator A^ of A:

it follows (with Pg = V t from above) that qj — q3^. (2) P j : VPj -> L 2 (R 3 ) defined by (p 3 »(x) := -ih^-<t>{y). In this case we have VPj = <<t>€ L 2 (R 3 ) : c continuous, -~- G L 2 (R 3 ) I = / > Vpj]. (3.37)

52

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

Here for ip,(f> e L2(Ul): (V,W>) = /V(aO(p0)dx
(3

=7)-ifi

f^*(x)-^(f>(x)dx

= -inr(x)<i>(x)\f00-J^r(x)<i>(x)dx
— — I [ ih—i/}(x) \ (f)(x)dx = J (pip)*(x)<f>(x)dx = (p^,0) = (pty,0), (3.38)

so that p* = p. Something similar applies in the case of the following operator which represents classically the kinetic energy T: (3) T:VT^ L 2 (R 3 ) and

™ ( x ) := "£ A<Kx) = ( ^ & 2 V ( x ) '
As a further example we consider the commutator. (4) Let the commutator be the mapping

(3-39)

Then for <p E L 2 (R 3 ): \Pj,Qk]<l>(x) = i.e. formally The following commutators which define the Heisenberg algebra \Pj, Qk] = -ihSjk, \pj ,Pk] = 0, [qj ,qk] = 0 = (pjqk ~ 9fePj)^(x) = (pjqk(t>)(x) - (qkPj(t>)(x) - i ^ f ^ X f c 0 ( x ) - xfe—</>(x) J = -ih6jk(j)(x.),

are called canonical quantization conditions with respect to a theory whose classical version possesses the fundamental Poisson brackets {Pi, ?*} = Sjk, {Pj,Pk} = 0, {qj,qk} = 0.

The simplest example to consider is the harmonic oscillator. We postpone this till later (Chapter 6). We add, that the quantization must always be

3.4 Linear Functionals and Distributions

53

carried out on Cartesian coordinates. Moreover, the above relations assume that the three degrees of freedom are independent, i.e. there are no constraints linking them. Systems with constraints can be handled, but require a separate treatment.^

3.4

Linear Functionals and Distributions

We now introduce the concept of a continuous linear functional on a so-called test function spaced Our aim is here, to provide a frame in which the formal Dirac bra- and ket-formalism to be developed later finds its mathematical justification. We require in particular the delta distribution and Fourier transformations. A subset of a Hilbert space "K is called a linear manifold D, if along with any two elements (f>i,4>2 G ^ C 'K this also contains the linear combination of these, i.e. « i ^ i + a2<^2 £ ^ , ai,a2€C. (3-41) A linear functional [/] in the Hilbert space "K is a mapping of the manifold T> into the set of complex numbers, i.e. [/] : V - C and is written [/]<<£> = / < 0 ) : = / with the property of linearity, i.e. f(<l>i + <h) = f(<l>i) + f{<h), (i.e. the expression (3.42) is antilinear in the first component). If / ( x ) is for instance a locally integrable function (i.e. for a compact set e R n ) like exp(ik • x), then it is clear that the function </>(x) has to decrease sufficiently fast at infinity, so that the expression in Eq. (3.42) exists. Functions which provide this are called test functions (see also later). Instead of the Hilbert space we therefore consider now a space of test functions (vector space of test functions), and on this space linear functionals. Definition: The compact support of a continuous function <fi : Rn — C is > defined to be the compact (i.e. closed and bounded) set of points outside
f

/(x)0(r)dx,

(V<P€V)

(3.42)

S e e Chapter 27. "We follow here to some extent W. Giittinger [127].

54

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

that of (ft = 0. Test functions cf> with compact support are exactly zero outside their support; they define the space D(Rn). A different class of test functions <j> consists of those which together with all of their derivatives \Dn(f>\ fall off at infinity faster than any inverse power of |x|. These test functions are called "rapidly decreasing test functions" and constitute the space S(Rn): D(Rn) S(Rn) := {(f> G C°°(DRn -> C) : support of </> compact}, := {4> £ C°°(Rn -> C) : \x\m\Dn(j>\ bounded, m,n,... e I > 0}. N (3.43) Definition: Distributions f{<f>) are defined to be the linear functionals on D(Rn) and tempered distributions the linear functionals on S'(IRn). A subset of distributions can obviously be identified with ordinary functions, which is the reason why distributions are also called "generalized functions".

3.4.1

Interpretation of distributions in physics

It is possible to attribute a physical meaning to a functional of the form

f (</>):= J dxf(x)<j>(x).

(3.44)

In order to perform a measurement at some object, one observes and hence measures the reaction of this object to some tests. If we describe the object by its density distribution f(x), like e.g. mass, and that of its testing object by <t>(x), then the product f(x)(p(x) describes the result of the testing procedure at a point x, since f(x)4>(x) = 0, provided f(x) ^ 0 and <p(x) ^ 0, i.e. if object and testing object do not meet. The expression then describes the result of the testing procedure in the entire space. If we perform the testing procedure with different testing objects and hence with different test functions <pi(x),i = 1,2,..., we obtain as a result for the entire space a set of different numbers which correspond to the individual 4>i{x). These ^-dependent numbers are written as in Eq. (3.44):

m = j f{x)<t>{x)dx.
If f(<j>) = 0 for every continuously differentiable function <f>{x), then f{x) — 0. In general one expects that a knowledge of the numbers f{<j>) and the test

3.4 Linear Functionals and Distributions

55

functions <p(x) permits one to characterize the function f(x) itself, provided the set of test functions is complete. In this way one arrives at a new concept of functions: Instead of its values y = f{x) the function / is now determined by its action on all the test functions <f>(x). One refers to this as a functional: The functional / associates a number /(</>) with every test function (f>. Thus the functional is the mapping of a space of functions into the space of numbers. f{4>) is the value of the functional at the "point" <f>. With this concept of a functional we can define quantities which are not functions in the sense of classical analysis. As an example we consider in the following the so-called "delta distribution".

3.4.2

Properties of functionals and the delta distribution

The delta distribution is defined as the functional 5(<j)) which associates with every test function <fi(x) a number, in this case the value of the test function at x = 0, i.e. 6(4>) = </>(0), (3.45a) where according to Eq. (3.44) 6((j)) = f 8(x)(/)(x)dx. (3.45b)

The result of the action of the "delta function" 5(x) on the test function 4>(x) is the number 0(0). The notation J 5{x)(j>(x)dx is to be understood only symbolically. The example of the delta function shows that a function does not have to be given in order to allow the definition of a functional. In order to insure that in the transition from a function f(x) defined in the classical sense to its corresponding functional /(</>) no information about / is lost, i.e. to insure that f(4>) is equivalent to f(x), the class of test functions must be sufficiently large. Thus, if the integral J f(x)4>(x)dx is to exist also for a function f(x) which grows with x beyond all bounds, the test functions must decrease to zero sufficiently fast for large x, exactly how fast depending on the given physical situation. In any case the space of test functions must contain those functions <f>(x) which vanish outside a closed and bounded domain, since these correspond to the possibility to measure mass distributions which are necessarily restricted to a finite domain. Furthermore, for the integral (3.44) to exist, the test functions must also possess a sufficiently regular behaviour. For these reasons one demands continuous differentiability of any arbitrary order as in the case of 5(0?") above. Certain continuity properties of the function f(x) should also be reflected in the associated functional. The reaction of a mass distribution f(x) on a test

56

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

object <p(x) is the weaker, the weaker cp(x) is. Thus it makes sense to demand that if a sequence {(pi(x)} of test functions and the sequences resulting from the latter's derivatives of arbitrary order, (p^(x), converge uniformly towards zero, that then also the sequence of numbers ((pi) converges towards zero. We refrain, however, from entering here into a deeper discussion of convergence properties in the space of test functions. The derivative of a distribution f((p), indicated by a prime, is defined by the following equation f((P):=-f(cP>). (3.46) This definition suggests itself for the following reason. If we associate with the function f(x) the distribution
oo

dxf(x)</>(x),
/
-oo

then the derivative f'(x) becomes the functional
oo

/

dxf(x)cP(x)
-oo

= -/($'),

(3.47)

as in Eq. (3.44). Partial integration of this integral then yields, in view of the conditions <p(±oo) = 0,
oo

dxf(x)<P'(x) = -/(</>'),
/
-oo

as in Eq. (3.47). Equation (3.46) defines the derivative of the functional f(<p) even if there is no function f(x) which defines the functional. For instance in the case of the delta distribution we have 6'(cP) = -S((P') = -<j>'(0) according to Eq. (3.45a). Formally one writes, of course,
oo

(3.48)

/•oo

/
-oo

dx5'(x)<p(x) =

[<J(a;)0(a;)]?foo - /
J—oo

dx5(x)(P'(x) (3.49) (3-50) (3.51)

= -5(<P>) = -<P'(Q). For an infinitely often differentiable function g(x) one has apparently (5 •/)<</>> = / ( # ) , so that (x6)((P) = S(x(P) = [x(P}x=0 = 0 x (P(0) = 0,

3.4 Linear Functional and Distributions or ' x6(x)</>(x)dx = 0,
/ '

57

x5{x) = 0.

(3.52)

Thus formally one can operate with the delta distribution or delta function in much the same way as with a function of classical analysis. As a further example we consider the relation f(x)S{x) = f(0)S(x). According to Eq. (3.50) we have f{x)5{x)4>{x)dx = «J(/0) = [f(x)4>(x)]x=0 = f(0)<f>(0) (3.53)

/

=

f(0)5(<f>) = J

f(0)6(x)<j>{x)dx,

as claimed in Eq. (3.53). Formal differentiation of the relation (3.53) yields f(x)6\x) = f(0)S'(x) - f'(x)S(x). (3.54)

One can convince oneself that this formal relation follows also from the defining equation (3.46). In particular for f(x) = x we obtain the useful relation x5'{x) = -S(x). (3.55)

A very important relation for applications is the Heaviside or step function 9{x) which is defined as follows:

From Eq. (3.56) we can deduce the relation 6'{x) = 6{x). (3.57)

For the verification we associate with the step function the following functional
oo

roo

/
-oo

0(x)<f>(x)dx = / <f>(x)dx.
JO
/•oo

For the derivative we have according to Eq. (3.46) e'(x)(<p) = -8(x){4f) = dxc/)'(x) = (f)(0) - 0(oo) = 0(0)

= 8{x)(<i>),

58

CHAPTER 3. Mathematical Foundations of Quantum Mechanics

or symbolically 0'(x) = 5(x), i.e. Eq. (3.57). After the introduction of the delta function it is customary to consider briefly Fourier transforms, i.e. in the case of one dimension the integral relations f{x) g(k) = = - =
V Alt
I
1

\ /

f°°

dkg(k)e-ikx dxf(x)eikx

=

F~lg{k), (3.58)

J-oo
roo

- =

= Ff(x).

\Z2TT J-OO

We assume here some familiarity with these integral relations. It is clear that the existence of these integrals assumes significant restrictions on the functions f(x),g(k). As a formal relation in the sense of the theory of distributions we deduce from Eq. (3.58) the important formal integral representation of the delta function, i.e. the relation
I
/•OO

S(x) = — /

dkeikx = S(-x).

(3.59)

One can see this as follows. According to Eq. (3.58) /(0) = - - L fdkg(k) yzir J and g(k) = - L y lis J fdxf(x)eikx.

Inserting the second relation into the first, we obtain

/(0) =

Jdxf(x)^jdke^,

and comparison with Eqs. (3.45a) and (3.45b) yields (3.59). We close this topic with a comment. The singular delta distribution was introduced by Dirac in 1930. The rigorous mathematical theory which justifies the formal use of Dirac's delta function was only later developed by mathematicians, in particular L. Schwartz. Thus today the singular delta distribution is written as a regular distribution, i.e. as an integral operator, by writing, for instance, 5a= f <5(x - a)^(x)dx = ^(a) V 0 e S ( [ R n ) , (3.60)

and one derives from this that the delta function <J(x) has the (impossible) properties of being (1) zero everywhere except at x = 0 where it increases so enormously that (2) the integral over <5(x) is unity:

f S(x)dx = 1.

Chapter 4

Dirac's Ket- and Bra-Formalism
4.1 Introductory Remarks

In this chapter we introduce the (initially position or momentum space representation-independent) notation of Dirac* which is of considerable practicability. We also introduce those properties of the notation which make the calculations with states and operators amenable to simple manipulations. The notation will be used extensively in later chapters. The integral representation of the delta function discussed in Chapter 3 can be considered as a formal orthogonality relation for harmonic waves exp(ikx) which finds its rigorous justification in the context of distribution theory. Thus we have — again for simplicity here for the one-dimensional case —
1
/"OO

S(x -x') or 6(k -k')

= — /
27T
-i

dkeikxe~ikx'

(4.1a)

J_00
/-oo

= — /
27T J_00

dxeikxe-ik'x.

(4.1b)

Since k and similarly x here assume a continuum of values, Eqs.(4.1a) and (4.1b) are described as normalization conditions of the continuum functions exp(ikx) as distinct from orthogonality conditions for functions depending on integers m,n as, for instance, the trigonometric functions um(x) = cos(mx), vm{x) = sin(mx),
'See P. A. M. Dirac [75].

59

60 for which

CHAPTER 4. Dirac's Ket- and Bra-Formalism

1 fn - / dxum(x)un(x)
^

= 6mn,

(4.2a)

J-K

i r
- /
^ J-7T

dxum(a;)i;ri(x) = Smn,

(4.2b) (4.2c)

i
- \
^

r
dxum(x)vn(x) = 0.
J-K

In the following we shall therefore "orthogonalize" continuum states represented by vectors of a Hilbert space which is no longer separable (i.e. which has at least a subset whose vectors are characterized by a continuous parameter) in the sense of the relation (4.1a) to a delta function instead to a Kronecker delta as in Eq. (4.2a). With this formal use of the delta function we can manipulate continuum states easily in much the same way as discrete states which implies an enormous simplification of numerous calculations, t The Fourier transforms introduced in Chapter 3 permit an additional important observation: We have several possibilities to represent vectors in Hilbert space, since the Fourier transform describes the transformation from one representation to another (" configuration" or "position space representation" <-> "momentum space representation"). A position space Schrodinger wave function ?/>(x), which we shall consider in detail in numerous examples later, corresponds to the representation of the vector ip of a vector space (as representative of a state of the system under consideration) in the position space representation, i.e. as a function of coordinates x. In the momentum space represenation the vector tp is the Fourier-transformed V>(k) of ip(x); this representation will be used in particular in Chapter 13.

4.2

Ket and Bra States

In the following we introduce the notation of Dirac.* We define ket-vectors as elements of a linear vector space and bra-vectors as those of an associated dual vector space. The syllables "bra" and "kef are those of the word "brackef. The spaces are linear vector spaces, but not necessarily separable Hilbert spaces, unless we are dealing with an entirely discrete system. More as an excercise than as a matter of necessity we recall in the following some considerations of Sec. 3.1, expressed, however, in the notation of Dirac. Hopefully this partial overlap is instructive.
'Formally this means that we have to go to an extended Hilbert space, which contains also states with infinite norm, see e.g. A. Messiah [195], Vol. I, Sec. 7.1.3. *P. A. M. Dirac [75].

4.2 Ket and Bra States

61

In order to achieve a representation-independent formulation we assign to every state of the system under consideration a vector, called ket-vector and designated |), in a vector space V. In the symbol \u), for example, u is an index of the spectrum, i.e. a discrete index in the case of the discrete spectrum, or a continuous index in the case of a continuous spectrum. The linearity of the vector space implies, that if £ is a continuous index, and A(£) an arbitrary complex function, then with |£),

\w) = J\(0\Odt

(4-3)

is also an element of V. As mentioned, the space can be finitely or infinitely dimensional. In the vector space V of ket-vectors a set of basis vectors can be defined, so that every vector can be expressed as a linear combination of these basis vectors. With the vector space V of ket-vectors we can associate a dual space V of bra-vectors, which are written (x|. The bra-vector (%| is defined by the linear function <X|{|«» of ket-vectors \u). For a certain ket-vector \u) the quantity x has the value (x|it), which is, in general, a complex number. For a better understanding of the concept of the dual space, we recall first the difference between a linear operator and a linear functional. According to definition, the linear operator which acts on a ket-vector \u) G V yields again a ket-vector \u') G V. On the other hand, a linear functional x i s a n operation, which assigns every ket-vector \u) G V linearly a complex number {x\u}, i.e. X= with x ( A i K ) + A 2 |« 2 )) = A i x O i ) ) + A 2 x ( M ) The functionals defined on the ket-vectors \u) G V define the vector space V called dual space of V. An element of this vector space, i.e. a functional x is symbolized by the bra-vector (x|.§ Then (x\u) is the number that results by allowing the linear functional (x| G V to act on the ket-vector \u), i.e. X(\u}) = <xl«>One should compare this with our earlier definition of the functional / on the space of test functions <> We wrote this functional /. |«)eV->x(l«»

m = w».
By construction every ket-vector is assigned an appropriate bra-vector. The reverse is not true in general. See e.g. C. Cohen-Tannoudji, B. Diu and F. Laloa [53], p. 112.

Also: (xi| = (X2I) if (xi\u) = (X2\u) for all \u) E V.4b) (4.3 Linear Operators. i.(t.9a): \{u\v)\2 < (u\u)(v\v).\u) = (u\0*.4a) \v) = J\(m<% and (4.5) 4. As in our earlier considerations we demand for (v\u) the following properties: (1) (u\v) = (v\u)*.5c)). which we write (u\. Hermitian Operators A linear operator A in the space of ket-vectors V acts such that A\u) = \v) EV .4c) (4-4d) (v\ = J\*(0(m- One defines as the scalar product or inner product of \u) E V and \v) E V the c-number (v\u). V \u) (in the case of |£) with infinite norm!). We consider next the important case that a unique antilinear relation called conjugation exists between the kets \u) E V and the bras (x| E V. or (4.62 CHAPTER 4. Dirac's Ket.e. if \u) = 0 (see (3. The dimension of V is the same as the dimension of V.and Bra-Formalism Furthermore we have: ( x | = 0. if x\u) = 0 V kets \u) E V. \v) E V are said to be orthogonal. (2) (u\u) > 0. that the vector \u) E V is associated with a vector in V. Because of the anti-linearity the conjugate bra-vector associated with the ket-vector |u) = Ai|l> + A2|2> is (v\ = Xl(l\ + X*2(2\. the norm squared. (3) (u\u) = 0. if (u\v) — 0. (4. This expression is linear with respect to \u) and antilinear with respect to \v). Two ket-vectors \u). It follows that we can now write the Schwarzian inequality (3.

Hermitian Operators 63 with A = 0 if A\u) — 0 for every vector \u) £ V. we have \u^u^) = X1\v^u^) + \2\w^u^) and so on. This does not always exist.. Then (x|(^4|it)) is a linear functional of \u) £ V (since A is linear). If Vi has the dimension A/i. also acts on the dual space V. Then one says: (771 results from the action of A on (x|. Also A = B it for every vector \u) £ V : (u\A\u) = (u\B\u). on bra-vectors are similar to those on ket-vectors. defines the unit or identity operator..4. Furthermore linearity applies. BA = 1.e. if AB = 1. with |n)(1) = Ai|w)( 1 )+A 2 k) ( 1 ) . -1 and \u) = B\v). The product vectors l?^ 1 )^ 2 )) span a new vector space. and one writes: (V\ = (X\A. Furthermore. In this way the operations of operators A. The product of such vectors is written: \u^u^) = \u)^\u)^. This product is commutative. Multiplication by unity. l|tt) = \u). The inverse of A is written A . i.3 Linear Operators. It follows that (r.e. as we can see as follows. the space Vi <S> V2. B. denned as a linear operator on V. Two operators A and B are said to be inverse to each other.or Kronecker. if \v) — A\u) i. the space Vi <S> V2 has the dimension . Then the following rules apply: A + B = B + A. Let \u)(l> be vectors of the space Vi and similarly |?j)(2) the vectors of the space V2. i. The operator A.or direct product of vector spaces.. let (771 6 V be the bra-vector defined by this functional. The inverse of a product is (AB)'1 =B-1A~1. Let the following bra-vector be given: (x\ £ V. Finally we define the tensor.e.\u) = ((X\A)\u) = (X\(A\u)) = (x\A\u). AB^BA.

i. then \v) is a linear function of \u).3). we write \v) = A*\u).7C) (|«)(u|)t = \v){u\. As a consequence we arrive at the following properties (e. here designated with the same symbol. AW\U)W = \V)W. Examples of operator relations: (1) (AB\u)(v\Cy = C^\v)(u\B^Al (4. (v\t) = (u\A\t). Dirac's Ket. by replacing in the above the bra-vector (t| by <t|flt) (AB)* = B*A\ (cA)* = c*A\ (A + 5) t = A* + B\ (4.64 CHAPTER 4.e. since AWAW\UW)\UW) = \vWuW) = AWAW\UW)\UW). AW\uW)\uW) = \vWUW). If (v\ = (u\A.7d) . 3. the operator A^ is called hermitian conjugate or adjoint operator of A (cf.A^] = 0. Since we demanded the scalar products to have the property (t\v) = (v\ty. Every operator A^> commutes with every operator A(2\ i. i.e. Assuming now that \v) G V and (u\A G V are conjugate vectors as explained above.and Bra-Formalism an operator in the Mi A/2. and (v\ = (u\A.6) for all \u).g. Next we construct the following scalar products: (t\v) = (t\Ai\u).e.7a) (4. in the product space. also Sec. i. \t) G V. we obtain the conjugate relation <t|At|«> = (u\A\t)* (4.e.7b) (4. [A^. Every such operator is then also associated with an operator. Let A^> be an operator in the space Vi and A^ space V2.

but only if these commutators commute. i. if H is hermitian and (u\H\u) > 0 for all ket-vectors \u).e. Obviously the quantity \a)(a\ is an hermitian operator. . and (b) that the eigenvalues with respect to \u) are equal to those with respect to (u\ and vice versa. hermitian The product of two hermitian operators is not necessarily hermitian. An important theorem is the following. Analogous considerations apply in the case of bra-vectors (u|. for we had (\u){v\)i = \v){u\. it follows that (u\A\u) = a(u\u). It follows that a is real. Every operator A can be written as the sum of two such parts: A=\(A + A*) + \(A-tf) anti—hermitian .4. The commutator of two hermitian operators is anti-hermitian: [H.K]^ = = [HK-KH]* KH-HK = = K^H^ -[H.K\. so that (|a)(a|)t = |a)(a|. i. if H = H' and K = K\ then (HK)* = HK only if tfrf = KH. so that (n|^4|n) is real. 65 The linear operator H is called hermitian.3 Linear Operators. -H^K] The separation of HK into hermitian and anti-hermitian parts is therefore HK=±{HK + KH)+l-[H.K}. Hermitian Operators (2) The conjugate bra-vector of AB\u)(v\C\w) is {w\C^\v){u\B]A].e. or (u\A\u)* — {u\A^\u) = (u\A\u). Verification: Since A — A^ and A\u) = a\u). if H — H' and anti-hermitian. [H. K] = 0. as is also (u\u). The operator H is said to be positive definite. An hermitian operator A has the properties (a) that all its eigenvalues are real.

If these form a complete system. (u\Ps = {us\.66 CHAPTER 4. (u\u') = 5{v . The operator Ps which projects onto S is defined by the properties: Ps\u) = \us) = Ps\us).e.9a) . since a ^ b. (n\n')=5nnl. so that (u\Ps = (us\. a ^ b. i. Dirac's Ket. so that (v\u) = 0. Then every vector \u) £ "K can be written \u) — |its) + \us*) with \us) e S. as we can see as follows. ( n | z / ) = 0 . Assuming A\u)=a\u). i.e. but the continuum vectors are normalized to a delta function.9b) (4. The above theorem remains unchanged. This follows from observing that (u\Ps\v) = (u\vs) = (us\v3) = (us\v).) = 0. since a is real.e. we have 0 = (u|A|rt) — (u|.8) The projection operator has the following important properties: Ps is hermitian.u'). Let S be a subspace of the Hilbert space !K.e.A|u) = a(v\u) — b(v\u) — (a — b)(v\u). (v\A = b(v\.and Bra-Formalism Moreover. i. (4. Ps2 = Ps(4. \u8*) E S*. and let S* be its complement. Ps is idempotent. {us\us*) = 0. which includes vectors of infinite norm. A continuous spectrum can immediately be included by passing to the extended Hilbert space. i. The entire set of ket-vectors spans the extended Hilbert space. then the hermitian operator defined on this space is an observable. it follows from A\u) — a\u) that (u\A = a(u\ or the other way round. Orthogonality: Two eigenvectors of some hermitian operator A belonging to different eigenvalues are orthogonal. Ps\ua. Next we introduce the very useful concept of projection operators.

.e. Then 0 = (P2-P)\p) and hence p = 0. (1 — P)\u) are orthogonal. where £ is a continuous index.e. i. so that (Ps2 ~ Ps)\u) = 0. (4.9d) Thus the vectors P\u).9c) This property can be seen as follows. .4. The quantity \a)(a\ is called elementary projector. Ps2 = PsThe only eigenvalues of Ps are : 0 and 1. as can be seen as follows. c = (a\u). i. Let p be an eigenvalue of the projection operator P.3 Linear Operators.. if the set of vectors |1). \u) arbitrary. i. Example: The vector \a) normalized to 1 with (a\a) — 1 spans a 1-dimensional subspace. so that \ua) = (a\u)\a) = \a)(a\u). (1 — Ps) is projector onto S*. |2). The projection \ua) of an arbitrary vector \u) onto this subspace is |ita) = |a)(a|w). Very similarly we can construct operators which project onto the subspace spanned by the continuum states.1. Hermitian Operators This property follows from the observation that Ps2\u) = Ps\us) = \us) = Ps\u).e.. Set \u) = \ua) + \ua*) with (a\ua*) = 0. Ps is projector onto S. Then (a\u) = (a|u a ) + (a\ua*) = (a\ua) and so {a\u) — {a\ua) and hence {a\u} = c(a\a) = c. p 2 . |iV) is a set of orthonormalized states. = (p2-p)\p). P\p) =p\p).p = 0.e. \ua) = c\a). If for these (by construction) the projector P2 onto a subspace S2 is P2= J*I f2\odm. Let a continuum state be written |£). i. Obviously N PN = y]ln)(re| n=l is the projection operator onto the A^-dimensional subspace SN. . 67 (4.

see Eq. the operator P is correspondingly P2\u)= f2\0m\u).and Bra-Formalism and hence '6 Numerous properties of the projection operators Pi are self-evident. Examples 8. ' The projector onto the subspace with eigenvalue Aj can then be written Pi = ^2\ui. Let \u\). which are orthogonal to each other (i. which we introduced earlier. Degeneracy will be discussed at various points in this text. (11. Let us assume that A is an hermitian operator with a completely discrete spectrum (as for instance in the case of the harmonic oscillator).. In the case of the infinite-dimensional Hilbert space with a countable number of orthonormalized basis vectors. See e.e.. The eigenvalues Aj then form a discrete sequence with associated eigenvectors \ui) € !K. in this case the spectrum also has a continuous part. be a system of basis vectors in this space.e. Sec. 8. one says the degree of degeneracy is r . If there are r such vectors. 4.68 CHAPTER 4.1 and 11. Observables are representatives of measurable quantities.r)(ui.114c).114b). i. In general it is possible. |u2). . that one and the same eigenvalue Aj is associated with several eigenfunctions. Coulomb potential.. (11.r\ "An example is provided by the case of the hydrogen atom. n=l In the case of continuum states (which are no longer countable) one has correspondingly as projector of all states in a domain £ e [£2>£i] or in the case of the differential domain d£ of £: dp = j '£ de'ion This latter operator is called differential projection operator.6. Dime's Ket. are linearly independent).4 Observables Operators which play a particular role in quantum mechanics are those called observables. P = £|n)(n|.g.6. However. and Eq.

the operator A is completely determined by specification of the eigenvalues A. Applied to an arbitrary vector \u) G "K Eq.r\u)\2. and the eigenvectors \ui.r) (the convergence. 69 i If A is an observable and if the spectrum is purely discrete.12) . we obtain i i i i i.r =^ i. then PiPi' = 0. ^ A i P i = A = ^Ai|ui. PA = y£pi i = Yt\ui. i. The operators Pi are linearly independent.r)(ui. It follows that the norm squared is given by (u\u) = {u\PA\u) = ^2(u\ui.r)(ui.r)(ui.r>(ui. (4.\i)Pi = 0.r \ui.10) gives the linear combination |it) = ^ i.e. i i (4. i.r \(ui.e. The uniqueness of the expression (4.e.r\ = l.r\ui/.r (4. and APi = XiPi.10). (4.r|.10) This expression is known as completeness relation or closure relation.10) follows from the fact that i Applying the operator A to the projector (4. or also as subdivision of unity or of the unit operator. Together with the orthogonality condition.r\u). which we do not enter into here.e.r'} = Sii>6rr>.10) expresses the completeness of the orthonormal system.11) i. is always implied). Let us set {A . If Aj ^ Aj'. i. in the case of degeneracy with (ui.4 Observables The dimension of this subspace is that of the degree of degeneracy.4. the projection of this operator is the entire space.r\u) i. the relation (4.

now however. Then we denote by \uv) the eigenvector of A whose eigenvalue is \{v). Then the operator PA which expresses the completeness of the entire system of eigenvectors is (all continuum states assumed to be in the interval (yi. Let v be the continuous parameter which characterizes the continuum. as explained earlier.e. (4. (4. we have the corresponding generalizations.17) previously. If the spectrum of an observable A consists of discrete as well as continuous parts.v').14) . i.and Bra-Formalism This is the expression called Parseval equation which we encountered with Eq. One defines as action of f(A) on. 1/2)) PA = 22 \ui)(u*\ + / dv\uv){uv\ = 1. (note: {uv\A\uvi) is the matrix representation of A) A\uv) = \(v)\uv). the eigenvector \ui): f(A)\ui) = f{\i)\ui). (u„|zv) = 8{v . Then f(A) = f(A)PA =^/(AOk)^! + / f(\{v))\uv)(uv\dv. Dime's Ket. for instance. written in Dirac's notation. (3. In a similar way we can handle functions f(A) of an observable A.13) For an arbitrary vector \u) of the appropriately extended Hilbert space we then have v—<• fV2 \u) = PA\U) = 22 \ui)(ui\u) + / and hence i) = (u\PA\u) = J2 \(ui\u)\2 and A = APA = ) J dv\uv){uv\u). for instance exponential functions.e. The ket-vectors \uv) are orthonormalized to a delta function. i. > rV2 + / dis\(uu\u)f \uj)(ui\Xi + / \(v)\uv){uv\dv.70 CHAPTER 4.

. In the following we consider more generally ket-vectors \ip) as representatives of the physical states. (3.15) and (4. which is discrete in the case of discrete energies and continuous in the case of scattering states (with continuous energies).58) in terms of ket.e.e. B]. form a complete set of commuting observables.. 4.. For many practical purposes the use of the Fourier transform is unavoidable.59). Finaly we recapitulate the following theorem from linear algebra: Two observables A and B commute. (4. their commutator vanishes. if and only if they possess at least one common system of basis vectors.16) represent subdi- . Extending this we can say: A sequence of observables A. again later. |x) € Fx. where the symbol ip is already indicative of the Schrodinger wave function ij.B. (4. i. In the one-dimensional case we write {x\x') = S(x-x').5 Representation Spaces and Basis Vectors 71 This relation expresses an arbitrary function f(A) of an observable A in terms of the eigenfunctions of this operator. Since both expressions (4. here presented without proof.5 Representation Spaces and Basis Vectors We began by considering ket-vectors \u) in which u is a parameter of the (energy) spectrum.C. In the differential operator representation the problem to establish such a relation is known as the Sturm-Liouville problem. First of all we can rewrite the integral representation of the delta function.4. Eq. We shall return to this theorem. for which the completeness relation is f dk\k)(k\=l.16) Correspondingly we also have a complete set of basis vectors {\k)} of an associated vector space F^. \k)€Fk.17) The Fourier transform provides the transition from one representation and basis to the other. [A. (4. and (b) if they possess a uniquely determined system of basis vectors. if (a) they all commute pairwise.and bra-vectors. with energy E. i.15) where the vectors {\x)} are to be a complete set of basis vectors of a linear vector space in its position space representation Fx. / dx\x){x\ = 1. Therefore we want to re-express the Fourier transform (3.. as a formal orthonormality condition. which all commute with one another.

e. <a#) = [ dk{x\k)(k\ip). V 27T (k\x') = .18) According to Eq.2a) etc.e.20) The representation of the corresponding bra-vector (^1 G IK in the position space Fx is correspondingly written (il>\x) = {x\ipy. which are representatives of the states of our physical system.L e " * * ' = {x'\k)\ V27T (4.15): 5(x . (4. i. Rather \x) and \k) serve as basis vectors in the representation spaces Fx. (3.19) Comparison with the orthonormalized system of trigonometric functions (4.72 CHAPTER 4. called wave function. (4.21) provides the ket-vector \ij)) in the A.e.and Bra-Formalism visions of the unit operator.x') = (x\x') = (x\t\x') = (x\ f dk\k)(k\x'). Dime's Ket. we can rewrite Eq.Fk. i.22) All of these expressions can readily be transcribed into cases with a higher dimensional position space. shows that these expressions are the corresponding continuum functions (the continuous parameter k replaces the discrete index n). The representation of a state vector \ip) G 'K in position space Fx is the mapping of the vector \ip) into the complex numbers (x\ip). ${k) := (k\if>).59) or Eq. (4. (x\k) = -^=eikx.-space representation. The Fourier representation ij){x) = -)= V 27T J Ieikx^{k)dk (4. this expression has to be identified with — / dkeikxe-ikx\ i. . (4. (4. Obviously we obtain this by inserting a complete system of basis vectors of Fk.1a). The vectors \x) and \k) G F are not to be confused with the vectors |u) or \ijj) G !K. il>{x) := (x\i/}) : "K -* C.

the calculation of which for specific cases is the subject of Chapter 7. We postulate the (time-dependent) Schrodinger equation* (with the Hamiltonian as the time-development operator) and obtain the quantum mechanical analogue of the Liouville equation. 73 . This will then also clarify the role of p as an operator in the quantum mechanical analogy with the Liouville equation.e. 5. Schrodinger [244].p. with the complementary system or *E. Finally we introduce briefly the canonical distribution of statistical mechanics and show that with this the density matrix can be calculated like the Green's function of a Schrodinger equation (inverse temperature replacing time). i. which is the quantum mechanical analogue of the classical probability density p(q.5) that in general and in reality we ought to consider the system under consideration together or in interaction with the rest of the universe.t). 1. if we do not take into account the complementary part of the universe.1 Introductory Remarks In this chapter we remind ourselves of the measuring process briefly alluded to in Chapter 1 and of the necessity to recognize the abstraction of a physical situation that we perform.2 The Density Matrix We shall establish a matrix p. Thus we distinguish between so-called pure states and mixed states of a system and thereby introduce the concept of density matrix and that of the statistical operator.Chapter 5 Schrodinger Equation and Liouville Equation 5. We mentioned earlier (in Sec.

. where i represents collectively all quantum numbers of the state of the system under consideration. The states \a) £"K'on the other hand are the corresponding states of the complementary part of the universe. we have (a\b) = 5ab. For an exact treatment we would have to express the actual state \ip) of the system as a supersposition not only of the states \i).74 CHAPTER 5. Schrodinger Equation and Liouville Equation the measuring instruments. p" ( C C * ) t = CTC* = p.3b) The quantum mechanical expectation value of an observable A..i.i. The actual and real state of a system is then a superposition of two types of states. i. are called "pure states". which in Dirac's notation we can write as = J]C a »|i) a. we have to deal with a so-called "mixed state".e. of an operator that acts only on the states of the system we are interested in.e. a (5. (5-2) (5.b. The states \i) £ "K. T . \i). where T means transpose: p = CTC*. \a). \a). the matrix can be diagonalized by a transition to a new set of states ^The hermiticity can be demonstrated as follows. (a\i)=0 = {j\b).. The difficulty we have to face is the impossibility to specify precisely the stationary state of our limited system. i. is then given by (A) := {MA\^) = Yl U\{b\A\a)\i)CaiCbj* a.j ij (5-4) Plj = (i\p\j)^YC-iC-J*a (5-5) Here p is an hermitian matrix.^ Since p is hermitian.. These are the quantum mechanical states which are also referred to as micro-states. called the density matrix.j = where J2 (J\A\i)5baCatCbj* = X>'l4*>/0« a. as well as 2~] |«)(*| = 1 in the subspaceof pure states i (i\j) = 5ij. but also of the states of the complementary set of the universe.. that is.. i eH ®^' (5J) We assume that the states are orthonormal and in their respective subspaces also complete..b.3a) and N J | a ) ( o | = l in the complementary subspace.

In the following we write simply \i) instead of \i').e.3 with Pi^YtCaiCaj*. in the position state representation or xrepresentation. Thus the pure states \i) form in the subspace of the space of states which is of interest to us.e. a (5-12) *In his reformulation of the statistical mechanics developed by Boltzmann.6) (i'\p\i") = Wi'Si'vi = real. This projection operator represents a quantum mechanical probability as compared with the numbers ui{ which represent classical probabilities.7) p = ^2\ii)(i. or (5.10) and is therefore. Gibbs introduced the concept of ensemble. then (cui/ '^Zi^i)Z is the number of ensemble elements in the pure state |i).) = YJc t . a projection operator. quantum states.j(x'|i)(i|a.. (5. This transition to a new set of basis vectors in which the matrix becomes diagonal. but occupy in general different microscopic. i. i i (5-11) In Eq. The ensemble can be represented as a set of points in phase space.g. which are all subjected to the same macroscopic boundary and subsidiary conditions.ji(x / )i*(x). a complete orthonormal system with properties (5. which today is a fundamental term in statistical mechanics.5. where x represents collectively the entire set of position coordinates of the (particle) system. Thus the real system is in the pure state \i) with probability uii/ J2i Ui.^'\i'^i'\> (5-8) since then (f\p\j") = ^Ui'ij'li^ii'lj") v = ^Ui'Si'fSi'j" v = UjiSj/j..4) we had the expression (A) = Y/Pij(j\A\i) i. (5. The operator Pi = \i)(i\ projects a state \<p) G "K onto \i).x) := (x'\p\x) = yju. as we saw earlier. P ^ ) = |i)(#) = (#)|i) (5. can be achieved with the help of the completeness relation of the vectors \i): \i') = J2\i)(i\i') i. If the ensemble corresponding to the system under consideration consists of Z elements (i.2) and (5.9) is diagonal. i. This ensemble is interpreted as a large set of identical systems. in a specific representation. . (see below) eM.\p\i")(i"\ = Y.e. e.3a). as we discussed previously.2 The Density Matrix 75 \i') 6 "K.* We can specify the state of our system. (5. seen macroscopically of Z copies of the system)..e. In this sense we have p(x'.

) := (mm = (#') W> = l(#')|2 > 0.14) we obtain (Ai') = ^2(j\i')(i'\i)(i\p\j) ij = ^Sji'Su'Pij i. (5. 3 (5. according to Eq.15) 5^0'l5^w«l*X*b') j i = 1 » or J^wi(i|t> = ^ W i = l. Eq. i t (5. On the other hand.18). Then the expectation value of the observable A is (cf. We can also show that Ui > 0. (5. Thus Tr(j>i|i)<i|)=l. (5.3 = pvv = uv.76 CHAPTER 5. Hence Wj/ > 0. We recall that the elements of p originate from the coefficients Cai in w = Y^cai\a)\i) = Yl ( E ^ M V ^5-19) . In particular for A = 1. (A. as claimed by Eq. (5. To this end we set A —>• Ai' := \i')(i'\ (no summation over i'). Schrodinger Equation and Liouville Equation We now define the operator p by the relation (cf. (5.14) which we can write (A) = Tr(pA). we have Tr(p) = l. (5.5) above) (i\p\j)=Pij.18) Substituting this into Eq. Eq. (5.13) {A) = ^(j\A\i)(i\p\j) ij = 52{j\Ap\j).4).16) (5.4)) (5.17) Hence the sum of the classical probabilities is 1.

i. We observed above. in all other cases the state of the system is a mixed state. In the following we are mostly concerned with considerations of systems in pure states. (5. but we see here. that these are actually not sufficiently general.e.8).§ {\x)} is a complete system of basis vectors in the position representation space Fx with dx\x){x\=l. Equation (5.x'). (5.t). . since they do not take into account the (interaction with the) rest of the universe. the only remaining one is 1. i. by representing the vector \i) by the wave function i(x. (5. so that p{x. and in the other states with probability zero. represents a quantum mechanical probability. i. If all ui but one are nought. We now consider the latter expression.3 The Probability Density 77 We see therefore that p defines the mixed states.t) we now write tp(x. The effect of the interaction of the system under consideration with the surroundings. thus enters these states.t) = {x\i). in which the numbers Wj represent classical probabilities and the operator \i)(i\ quantum mechanical probabilities or weights.t) and instead of (x\Pi\x) we now write p(x.21) p=\i){i\=Pi. one says. We see this more clearly by going to the position space representation.3 The Probability Density p(x. For the case n we have TJ=J- (5-20) (5.e. t) p= i The expression (5.22) In the following (x\i) is always to be understood as (x\i(t)}.24) s (x\x') = 5{x .5.20) expresses that the system can be found with probability 1 in the state \i). ^2ui\i){i\.t)\2. (Question: Is the state of the universe a pure state?) 5. which is contained in the coefficients Cai. not in a mixture of states.t) = \^{x. that — different from u>i — P. Then {x\Pi\x) = (x\i)(i\x) = \{x\i)\2. the system is in a pure state. defines the statistical operator.23) Instead of i(x. Thus we have a system in a pure state.e.

or the wave function tp(x. This differentiation requires the time derivative of a state vector \i) E "K. with respect to time. (5. t). which is chosen in such a way that the desired analogy is obtained.27) where H is the Hamilton operator of the system. .4 Schrodinger E q u a t i o n a n d Liouville E q u a t i o n We encountered the classical form of the Liouville equation in Sec.t) = / dx{i\x)(x\i) = (i\i) = 1.3. i. can be found with probability 1 in the space R1. it is not "derived").28) Differentiating Eq.8) and multiplying by ih. We therefore postulate first an equation for the time dependence of a state vector. the expression (5. (5. (5. Equation (5.27) is -iHJ\ jt= m .e.e. Schrodinger Equation and Liouville Equation The relation (5.t)\2.^ The equation which is the conjugate of Eq. 2. (5.26) 5. and the time-independent equation should correspondingly be called Schrodinger wave equation (i. the Schrodinger equation is always postulated in some way. and hence the integral over all space dxp(x. t h e equation of motion with states represented in a system for which the q's or here x's are diagonal). We shall convince ourselves later that the postulated equation is sensible (in fact. Hence we postulate: The time development of a state \j) E "K is given by the equation ih^\j)=H\j). (5.22) can also be written |(x|i)| 2 = (i\x)(x\i). we obtain ih % = ^ E ^ w o i = ^E^ij)o-i+^Ewi(^iJ))oi dt +ihYJ^\J){jt{J\)- (5-29) "More precisely this equation should be called Schrodinger equation of motion (since H is fixed. but the linear operator states are moving — even if the system is observably stationary).t) = \rp(x. We now want to obtain the quantum mechanical analogue. The generalization to a three-dimensional position space is self-evident: JK 1 / p(x.25) J Thus the particle whose state is described by \i). To this end we have to differentiate the density matrix p.27) is known as the Schrodinger equation.8). (5.78 CHAPTER 5.

(5. (5. (cf. p also contains "quantum mechanical probabilities" (i.31) The eigenvalues u>i of p determine the fraction of the total number of systems of the ensemble describing the actual system which occupy the state \i). we observe that here on the left hand side we have the total time derivative. such a formulation is described as Schrodinger picture. both uji and |i)(i|).e.Xi)\j).27). Eq.5.28) we obtain (see also Eq.34) .e. The Schrodinger picture and the alternative Heisenberg picture will later be considered separately.4 Schrodinger Equation and Liouville Equation 79 Inserting here Eqs.27) in the position space representation: ih(x\-\j) = (x\H\j) = {x\H(pi. We thus obtain the operator form of the Liouville equation.37)) (5.32) Comparing Eq. i. dp/dt ^ 0. i.21).31) below) 3 j 3 = y £u>J{HPj-pjH)+thyE^m\ dt 3 = [H. The reason for this is that in addition to the "classical probabilities".32) with its classical counterpart (2. Eq. (3.28) the states are considered as time-dependent. (2. We can now consider the Schrodinger equation (5.e.27) and (5.24)). With Eqs.p}. M\/n\ (5-30) where in statistical equilibrium dt £^">01=03 (5.p} + ihJ2^\J)(J\. the relation ih^ = [H. not the partial derivative. The correspondence to the classical case is obtained with the substitution h J-< > <5'33> and dp/dt = 0 (cf. (5. (5. (5. (5.

a (5. „ / ith—.t) = exp ip(x. this is an application of the Baker-Campbell-Hausdorff formula which we deal with in "Later. Schrodinger Equation and Liouville Equation or with (x\j) — ip(x. but with respect to the parameter /3 = 1/kT.4.x 1 ^ ( x .4. we can replace these states by corresponding timeindependent states. In expression (5.80 CHAPTER 5.t) = Hld .. in Sec. t ) . Feynman [94]. since the solution of Eq. however. appearing in the Boltzmann distribution. 10. it is plausible to refer to this equation at this stage.36) in in The initial wave function or time-independent wave function ^(x. (5.Xi){x\En) = En(x\En).35) Here we can look at the Hamilton operator as a "time generator3''. we shall describe as "time development ator given by U(t. with respect to time t. (5. since the time-dependence cancels out (the exponential functions involve the same operator H but with signs reversed.e. to) = exp[—iH(t — to)/H\. P.1 Evaluation of t h e d e n s i t y m a t r i x As a side-remark with regard to statistical mechanics we can make an interesting observation at this point. or H\En) = En\En).and temperature-dependent Green's functions. 5.8) for p. we write V>(x. With the help of Eq. 0) or \il))t = \il>)t=o exp (5.0): where H(-ih—. **R.. which we shall need later. T meaning temperature. i.35) can be written'! ip(x. . For a mixture of states \i) of the system under consideration caused by the rest of the universe we have Ui ^ 1.t): > ih—</>(x..e. in p = ^2i^i\i}(i\.** In view of the close connection between time. operator" the exponentiated oper- . i. the state \i) is still time-dependent. n (5-37) This equation is described as the time-independent Schrodinger equation.38) (x\j)t=o = Yt(x\E^(En\J)t=o. namely that the density matrix satisfies an equation analogous to the time-dependent Schrodinger equation — not. (5. 0) can be expanded in terms of a complete set of eigenvectors \En) of the Hamilton operator H.36) however.

i (5.^ n tne position space representation Eq.1).39) therefore (x\p\x') = J2"i(x\^)(Ei\x'). (1. (5.41 ) or with 4>i(x) := (x\Ei) this is p(x.40) 1. we obtain p(x.4 Schrodinger Equation and Liouville Equation 81 Example 5. i. (5.x'-(3) = Si e ~^W*V).e. (543) Since H(f>i(x) = Ei<f>i(x). (5.42) Inserting here Eq. Hence we have (with (Ei\Ej) = 5^) in what may be called the energy representation p = YJ"i\Ei)(Ei\.x')^p(x. the expression _Zie-^\Ei)(E>\ also as (see below) e-0H (5. (5. Eq. i ( 5 .44) r (Tre-PH)' (5.9) with En -> nhu) L0icxe-PE\ so that Yliui becomes = f3 = l/kT. we can rewrite p. or ^ = ^ e -0Ei _m.45) since on the one hand •PEi i i i and on the other hand .5.40). x') = ^ i LUiMxWix').39) Without proof we recall here that in the so-called canonical distribution the weight factors uji (similar to those of the Boltzmann distribution) are such that (cf.

(5. B}} .49) In the position or configuration space representation Eq.45) and (5.50) Differentiating this equation with respect to j3. PN(0) := (EilpNiP^Ej) = (Ei\e-PH\Ej) =e"^^ (5. M. (5.(3) := (x\pN(P)\x') = (x\e~0H\x'). (5.tt tt For a more extensive discussion see R. Example 5. (5.52) Hence this expectation value can now be evaluated with a knowledge of pN.55)).46) is pN(x.x'. the following relation holds: exp(A) exp(S) = exp ( A + B + i [A.47) (5.The quantity pjv is obtained from the solution of the Schrodinger-like equation (5. we obtain = -HxPN{x.45). Wilcox [284].47) with respect to (3.46) we can write the expectation value of an observable <^Tr<„. whose calculation for specific cases is a topic of Chapter 7 (see Eq.(3).-L [B. Schrodinger Equation and Liouville Equation so that p is given by Eq.4> = ^ g ^ .x'./3). (5. (3).1: Baker—Campbell—Hausdorff formula Verify that if A and B are operators. Tr(pN) = / dxpN(x. (5.X'. . [A. we obtain 9pN gpP) = SijEie-^ = -EiPNij(J3).35). (5. (5.51) is seen to be very similar to the Schrodinger equation (5.46) In the energy representation this expression is pNij(P) with PNij(P) = 6ij. B] + -L [A.51).48) = 1. (5.x. We now rewrite the factor exp(—(3H) in Eq.45) without normalization as PN(J3) := e~pH./?). Differentiating Eq. (5. A}} + • Solution: The relation can be verified by expansion of the left hand side.51) where the subscript x indicates that H acts on x of PN(X.x'. [B. (7. This solution is the Green's function or kernel K(x. Equation (5. With Eqs.82 CHAPTER 5.

the present form of quantum mechanics is largely a physics of harmonic oscillators.Chapter 6 Q u a n t u m Mechanics of t h e Harmonic Oscillator 6. (8. its quantization here in terms of quasi-particle creation and annihilation operators also points the direction to the quantization of field theories with creation and annihilation of particles. that the oscillator. Noz [149]. * Comment of Y. Kim and M." Quite apart from this basic significance of the harmonic oscillator.. like the Coulomb potential. This is a fundamental topic since the harmonic oscillator. The importance of the harmonic oscillator can also be seen from comments in the literature such as:* ". which is often described as "second quantization" as distinct from the quantization of quantum mechanics which is correspondingly described as "first quantization" (thus one could visualize the free electromagnetic field as consisting of two mutually orthogonal oscillators at every point in space). can be treated exactly and therefore plays an important role in numerous quantum mechanical problems which can be solved only with the help of perturbation theory. S. we shall see on the way. However. Since the spectrum of the harmonic oscillator is entirely discrete. An alternative method of quantization of the harmonic oscillator — by consideration of the Schrodinger equation as the equation of Weber or parabolic cylinder functions — is discussed in Chapter 8 (see Eqs.51) to (8. can — in fact — be quantized in quite a few different ways.53)). E.1 Introductory Remarks In the following we consider in detail the quantization of the linear harmonic oscillator. 83 . its associated space of state vectors also provides the best illustration of a properly separable Hilbert space..

to = 1 reduces to the parabolic cylinder equation. This equation would then have to be solved as a second order differential equation. 1 2 2 The quantization of this oscillator is achieved with the three postulated canonical quantization conditions. in the present case + [E--mooJ2x2)ip = 0. hence we do not use a distinguishing notation. h = l. ox and then to the time-independent Schrodinger equation Hip(x) = Eip(x). p^-ih—.1) for the hermitian operators q. of which the only non-trivial one here is [q.2) which for mo = 1/2. so that there is no ambiguity due to commutation. we can also proceed in a different way. linear harmonic oscillator the Hamilton operator is given by the expression XJ 1 2 . which is called Weyl ordering.' ^mgLOh by setting and *~. This can be done in a number of ways. Also observe that H does not contain terms like pq or qp.MvT« 7=r)^(VT-vir>' + («> 'Note that we assume it is obvious from the context whether q a n d p are operators or c-numbers. 2mo dx \ 2 2 (6.2 The One-Dimensional Linear Oscillator In the case of the one-dimensional. which is — in the first place — representationindependent. like taking half and half. For instance we can go to the special configuration or position space representation given by q^x.p]=ih (6. .84 CHAPTER 6. the boundary conditions on the solutions ip(x) would be square integrability over the entire domain of x from —oo to oo.p. However. Quantum Mechanics of the Harmonic Oscillator 6. When such a term arises one has to resort to some definition.^ The first problem is to determine the eigenvalues and eigenfunctions of H. To this end we introduce first of all the dimensionless quantities rriQUi fl q.

A\ we obtain h A + A^ rriQLU y^ (6.12) in order to obtain the following expressions: [tfA. + 1).1 ) .A^] = 1. We now use the relation (3. (6.7) (6. A] = [A\ A]A = -A.C]. (6.e. if A*A\a) = a\a). q are hermitian). C] = A[B.34d): [A. i. (6.14b) [A* A. Prom these relations we obtain ( ^ = ^ . (6. (6.13) ( ^ A ) i t = A\A^A From Eq.6) and p = y/motoh -A-Ai -=^. . and [AB. A^] = A\ (6.5) Re-expressing q and p in terms of A.10) then a = (a\A^A\a) = \\A\a)\\2>0.14a) (6. With the help of Eq.B}C + B[A. A*} = A^A. i. (6. for ^ A | a ) = a\a). C] + [A.6.11) Thus the eigenvalues are real and non-negative.BC] = [A.1) we obtain immediately the commutation relation [A. (6. (6.9) We observe first that if \a) is a normalized eigenvector of N with eigenvalue a. i\/2 Inserting these expressions for p and q into H we obtain H = hiu{A^A + AA*) = hi* (A^A + ^ .8) The eigenstates of H are therefore essentially those of N := ^ f A (6. C}B.e.14a) we deduce for an eigenvector \a) of A^A.2 The One-Dimensional Linear Oscillator 85 (p.

we must have (a) Let \a-n):= An|a)^0. unless A^\a) = 0.17) (6.e.2A)\a) 2 (a .14b) : (AiA)A*\a) = A\A^A + l)|a) = A\a + 1)| a) = (a + l)A^\a).86 the relation CHAPTER 6.11) this is not possible. (6.l)A\a).19) i. The norm of A la) is ||A|a)|| 2 = {a\A^A\a) = a ( a | a ) = a. If we continue like this and consider the vectors An\a) ^ 0 for all n. | a) is eigenvector of A^A with eigenvalue (a + 1). in view of Eq. Similarly \\A^\a)\\2 = (a|AAt|a) = (a|l + A^A\a) = (a + l)(a|a) = a + 1. However. In this case we have (A*A)A2\a) (6 (6. Similarly we obtain from Eq. unless A\a) = 0. (6.l)\a) = A(a .. we find that A n |a) is eigenvector of A^A with eigenvalue (ct — n). (6.2A)\a) = A(Aa . (6.20) . but (b) An\n>\ llA An+1|a)=0.l)\a) = (a . unless A 2 |a) = 0.A)\a) A{AAU .2)A |a). (6. (6. or ||At|a)|| = v ^ T T . since this equation implies that the eigenvalues cannot be negative. Next we consider the vector A 2 |a).21) .l)A\a) = A(A^AA . (6. or \\A\a)\\ = Va.18) = '= a ) A(A^A . Thus for a certain value of n > 0. This would mean that for sufficiently large values of n the eigenvalue would be negative.16) This means. Quantum Mechanics of the Harmonic Oscillator (A*A)A\a) = A{A*A .15) Thus A\a) is eigenvector of A^A with eigenvalue (a — 1). A 2 |a) is eigenvector of A^A with eigenvalue (a — 2).

18) we obtain for a = n: p t | n ) | | 2 = n + l.28) .. or a = n > 0. \ I 2 2 x 87 Replacing in Eq.20) we have for a = n = 1: A2\1) = 0. that a-n = 0.' " /. so that (a|(A n )tA n \a) __ \\An\a)\\2 ( a . But A 2 A t |0) = A(AA^)\0) = A(A^A + l)|0) = 0. I „ .n ) = " ||A»|a>||=» ' = ||A«|a)|F = 1 .26) <0|A4 t AA t + A4 f |0) = (Q\2(A]A + 1)|0) = 2. (6. so that A^\n)^0 In particular we have A^\0) ^ 0 and II^IO))!2 = (OIAA+IO) = (0\l + AU\0) = (0|0) = 1. (6.6.2 The One-Dimensional Linear Oscillator be a normalized eigenvector of A^A with eigenvalue (a — n).25) (6. For a — n = 0 we deduce from (b) of (6. The state |0) is called ground state or vacuum state.20) we obtain from this that the right hand side vanishes. i.20) that A|0) = 0. HAU+IO)!!2 = = (O\AAAWI\O) = {O\A{A^A + I)A^\O) for all n. Moreover. \ 9 \ I / II 4 T ) .n | a .22) With relation (b) of Eq (6. v. From relation (6.17) a by (a — n).5) to shift operators A to the right which then acting on |0) give zero.e.I n U .27) According to (b) of (6.24) This is a very important relation which we can use as definition of the state vector |0).23) Hence the eigenvalues of the operator iV := A^A are nonnegative integers. (6. (6. (6. we obtain a-n = \\A\a-n)\\2(6=) An+l\a) \\An\a) (6. (6.. In the following manipulations we always use the commutator (6.

and in view of Eq. (6.29) Hence we obtain and in view of Eq. The states \n) thus defined are orthonormal. (A^)3] = [A. Quantum Mechanics of the Harmonic Oscillator A2AtA*\0) = A(A^A + 1)4*10) = (AA^AA^ + AA*)\0) = = = {AA\A* A+1) + A* A+ 1}\0) (AA^+ 1)\0) = (A^ A+ 2)\0) 2|0) ^ 0.11). But using Eqs.e.11) we have [A.^ ( O l A ^ n o ) . A^} = 2A\ and [A.5) and again (6. i.32) (6. we have |2> = ^=dAi\0). and in general [A.33) .(A*)n] = n(Ai)n-\ (6.34) (6. as we can see as follows. (At)2]A+ + (A*)2[A. (6. (0|^ 2 (At) 2 |0) = 2.88 and CHAPTER 6. (6.29). In general we have \n) = -^(A^n\0) (6. A^A* + A*[A.Al] = 2A^A^ + (A^)2 x 1 = 3(A^)2. (6. Similarly we find |2)oc^Ut|0). (A*)2} = [A. According to Eq.32) we have (n|m) = .(6.31) (6.30) (arbitrary phase factors which are not excluded by the normalization have been put equal to 1).26) the equality |l) = A t |0). (6. |l>ocAt|0).

1 ) . (6.e. the eigenvalues of the Hamiltonian H are En = hw\n+-\+ i ) .33). however. (6. . . With Eq. i.6.1) = n\n).1) (6.J \n) = hw (n + i J \n).1 |0). ldnm = n\5nm. .39) A^A\n) = y/nA^\n . chosen in close analogy to the postulated "second quantization relations" of field theory.8) we obtain therefore H\n) = hu (A^A + ]. •(» (6. whose number is given by the integer eigenvalue of the number operator N = A^A. . . we obtain (n\m) = 5nm We also deduce from Eq.35) Inserting this result into Eq.'n\ and = -v n ![ ( A t ) M i= + (6. l .34) A\n) = -±=A{Al)n\0) . Here.38) (6. By repeated application of this relation on itself it follows that (since this is nonzero only for n = m) (0\An(A^)m\0) = n{n . in quantum mechanics.32): rf\n) = . In view of the properties (6.34) and (6. The terminology is. (6. In view of the same properties A is also called annihilation operator and A^ creation operator of so-called u quasi-particlesv.L ( A t ) n + 1 | 0 ) = VnTT\n Vn! and with Eq. (6.36) + 1) (6. 2 .1 (A + ) m .2 The One-Dimensional Linear Oscillator so that {0\An(A^)m\0) = = {0\An-1A^mA\0) + (0\An-1m{A^)m-l\0} 89 0 + m(0|A n .35) the operators A^ and A are called respectively raising and lowering operators or also shift operators. we do not have creation or annihilation of any real particles as in field theory (hence the word "quasi-particle").37) n^)71-1}^) = v n | n .40) (6.41) The contribution hu/2 is called zero point energy. . n = 0 . . (6.

6) and (6.2.. (6.e. n = 0. also called Heisenberg representation. ( At = Vi 0 0 0 ° \ f° 0 Vi 0 0 0 0 0 0 0 0 V2 0 0 0 0 0 V2 0 0 v^ 0 0 0 0 0 V3 0 V5 0 v / ( ° VI 0 V2 0 0 v / (6..39)). other elements zero.44) yfn.3 The Energy Representation of the Oscillator The energy representation. other elements zero. (6. (6.39): {n\A. En = hu(n + -).1..46) v^ .43) = = y/n(n'\n — 1) = y/n5n^n-i. (6. Vn + 1. The representation of the Hamiltonian in this energy representation is {n\H\n') = En5nn. is defined by projection of operators on eigenfunctions of energy. Vi 0 0 0 2mQUJ 0 V2 0 y/3 0 0 0 V3 0 y/l 0 -\/2 0 V3 0 \ V • / P = mohu) VT 0 0 0 ° -VT 0 V2 0 0 / 0 0 -V3 0 (6. i.. A^ from the relations (6.38) and (6.90 CHAPTER 6.g.'\n) i'\A*\n) (n + l\A'\n) and similarly (n'|A|n) (n — l\A\n) In matrix form this means 0 0 0 0 0 0 0 0 0 A/4 = = Vn + l(n'\n + 1) = \/n + 15 n / iTl+1 . and — in fact — we have used this already previously (see e.45) Correspondingly we obtain with Eqs.. Eq. (5. Quantum Mechanics of the Harmonic Oscillator 6.42) We can deduce the energy representation of the operators A.7) the energy representation of the operators q and p.

6. Hence ( * Recall J™ dxe-™ * ? 2 2 2 1/4 W \ i/4 \ e-m^x*/2h_ (g 5 Q ) = yfln/w .1) and (6.e. mow / (6.4 The Configuration Space Representation We saw that the eigenstates are given by Eq. (6. (6. (6. i. by (cf. The ground state wave function (/>o(x) is defined by Eq.47) -L-P |0) = 0 . 2 .48) Applying from the left the bra-vector (x\ and remembering that (x\p\<f>) = we obtain -ih—(x\(j)}.32). (6. This is a simple differential equation of the first order with solution (x|0) = The normalization constant C is determined by the condition* OO /-C 1 = (0|0) = / / dx(0\x)(x\0) = \C\2 I dx(0\x)(x\Q) = \C\2 / -OO J —< e-mou}x2/hdx = \C\2 mow' so that We choose the arbitrary phase 6 to be zero. A\Q) = 0.5) are also satisfied as matrix equations. Eq.4 The Position Space Representation 91 It is an instructive excercise to check by direct calculation that Eqs. Correspondingly the position space representation is given by the wave function <t>n(x) := (x\n).3)) ^ (q 2n \ + (6. 6.24). ™ou(x 2h \ + J _ d ] m = 0 (649) mQUJ dx Ce-mouJx2l2h.

0 = ( . c/>n(x) := (x\n) = . (6. (6. These polynomials are real for real arguments and have the symmetry property # n ( . Quantum Mechanics of the Harmonic Oscillator This is therefore the ground state wave function of the one-dimensional harmonic oscillator. i.l ) > n ( x ) . they are called Hermite polynomials. Vn! Now {XlA (6.dx'{X] so that <*'->^(irrv^i« mQU dx Setting a we have 7T 1 /4 v ^!2«/2 \a Setting a and ff„(0 we have = ^ / 2 u^n-^m^-''^ h mouj dx) K ' ( f .56) < ^ = We have as an operator identity the relation .L ( x | ( A t ) » | 0 ) . it suffices according to Eq.l ) n f f „ ( 0 .2 n n! The functions Hn(£) are obviously polynomials of the n-th degree.54) (6 55) i/4 r-zri7r 1 / 4 vo.92 CHAPTER 6. (6.e.32) to apply the appropriate number of creation operators A^ to the vacuum state |0).51) \l 2h {X q \ m0uP)-\l 2h \X m0u. In order to obtain the wave functions of higher states.| ) e"^2. so that <t>n(-x) = ( .

-e.58a) ' T h i s definition — apart from the usual one — is also cited e. Magnus and F. (202"2.l ) n e ^ In particular we have #o(0 #i(0 #2(0 #3(0 tf4(0 = = = = = 1. gain as an operator relation we have de = een± = een da e-e/2±_^e-e/2 d£ 1 u ^ d? dt.12.54) we find that (observe that there is no factor 2 in the arguments of the exponentials!)§ Hn{i) = ( . 81.4 The Position Space Representation i. ( 2 0 4 . . (6. — = n+ d ~^ -i 2 + d 2 de) ' 1+e ~ (6. (203-6(20. p. Oberhettinger [181]. (6.57b) • Generalizing this result and inserting it into Eq.g.2)m = (±-t)m for some function VKO.en_ dt.It follows that 0en(Pe/2^Le-z 2 n\P-?i2 — c2 d d£ -? = 2f.12(20 . 2£.e. 93 . d£" (6.6.58b) by W.

He'n{£). 80. 81. = nHe^iO. (6. Magnus and F.58c) Here special care is advisable since the Hermite polynomials defined above were motivated by the harmonic oscillator and hence are those frequently used by physicists. pp. (6. Oberhettinger [181]. Quantum Mechanics of the Harmonic Oscillator The differential equation of the Hermite polynomials Hn(£) defined in this way is ( ^ 2 ^ + 2n )ff"(O=0.59a) The differential equation obeyed by the Hermite polynomials Hen(£) defined in this way is (^2 .59d) The normalization of Hermite polynomials is given by the relations: oo / d£ Hn(OHm(Oe~e -oo = 2 n n\^5nm. £2-l.6 £ 2 + 3.59b) = (-l)^2/2^.3) are (as given in the cited literature and with a prime meaning derivative) Hen+1(0 Hen(0 He'n(0 = ZHenifi) .60b) J—< "See for instance W. Mathematicians often define Hermite polynomials Hen(^) as^ Hen(0 Then He0(O Hex{0 He2(0 He3(H) fle4(£) = = = = = 1. (6.60a) and I d£ Hen{Z)Hem{Z)e-?l2 = n! V & „ m - (6.^ + n) He n(0 = 0- (6.94 CHAPTER 6. £. = ffen+itO+ntfen-iCO. (6. . £3-3£. (6.(e-^/2) or Hn(0 = 2n/2Hen(V2ti). £ 4 .59c) The recurrence relations satisfied by these Hermite polynomials (the second will be derived later in Example 6.

F(S. 2(£ - s)£2-& s=0 s=0 ~ ds = m -sf-2]e?= •«-«) : S=0 2(2e2-l) = (2e)2-2 = ^2(0.^ = e-^/42~n/2Hn(aV2). . (6. p.4 The Position Space Representation 95 The relation between Hermite polynomials and parabolic cylinder functions Dn(0 — which we use frequently here — is given by" Dn(0 = = Dn(V2£) = ( .6.63) The meaning is that if we expand F(£. W. Their normalization is therefore given by OO /"OO / OO J —OO z (6.g.s) = J2 n=0 (6.l ) ^ e-^HeniO 2 / 4 | .0) we obtain + s fdFs 1! V ds s=0 + OF ds 2 dF ds2 = s=0 2(f d S )^-«-)a s=0 = 2£ = ffi(0.64) n\ See e.61) e-?l*2-nl2Hn{Z). Thus the generating function can be written F(Z. 93.s)=F(£.. and so on.. Magnus and F.62) J-oo The following function is generally described as generating function of Hermite polynomials Hn{£): F(S. Oberhettinger [181].s) = eM?-(Z-s)2}(6. s) as a Taylor series.

in order to estimate the lowest energy of the harmonic oscillator.1 The comparative behaviour of the lowest three wave functions of the harmonic oscillator. E0 ~ -—{Apx)2 + IrriQ l -mQuj2{Ax)2 moLoh/2 2TUQ 1 moU!2h/2 2 TTIQU = -Ku).1. 6. Furthermore we observe t h a t the wave function of the n-th state has n zeros in finite domains of the variable x. and we see t h a t even and odd states alternate.e. ground) state is fko/2. We see t h a t the lowest state is symmetric. i. mow' Apx = ^m0Luh/2. T h e comparative behaviour of t h e wave functions of the three lowest states of the harmonic oscillator is shown in Fig. But this would mean t h a t b o t h x{t) and p{t) would assume simultaneously the "sharp" values zero. for x(t) = 0 and p(t) = mox(t) — 0. In fact we can use the uncertainty relation AxApx ~ H/2. has parity + 1 .96 CHAPTER 6.e. W i t h Apx = moAvx we have = moLoAx Ax and thus h/2 Apx h/2 mQuAx Ax I h/2 . 2 . We also see from the eigenvalue t h a t the energy of the lowest (i.e. Quantum Mechanics of the Harmonic Oscillator Fig. 6. i. In classical mechanics the energy of the oscillator can be zero.

Sec. Solution: Consider the simple harmonic oscillator of natural frequency of vibration u.2 contains only the answers since the evaluation of the integrals proceeds as in Example 6.: 27 -T mov2a2. In the plane of complex q the integral has no poles for finite values of q. Thus. in corrected version instead with n* = n + 1/2. classical orbit i.1: Eigenvalues obtained by contour integration Use the corrected Bohr-Sommerfeld-Wilson quantization condition (cf. pdq.plane Imz z . and with potential V(q) = 2-K2mov2q2 and total energy E = p2/2mo + V(q). original path q . mass mo.1. which is the complete orbit.e. n*h.4 The Position Space Representation 97 The zero point energy plays an important role in atomic oscillators. like two-atomic molecules. This observability can be taken as direct proof of the uncertainty relation. to —a.6. Example 6. 6. back to 0. E . The analogous Example 6. According to "old quantum theory" with integer n. setting q = 1/z.1 we demonstrate how the eigenvalues may be obtained by the method of "poles at infinity".plane pole at z=0 ^ . 27rmoi/ <f> V'a 2 — q2dq = n*h. The kinetic energy is always positive or zero.4) to obtain by contour integration the eigenvalues of the harmonic oscillator. -/classical orbit Here q goes from 0 to a. Finally we point out that the Hamiltonian of the harmonic oscillator can be diagonalized in many different ways. and is directly observable. we obtain the integral . to 0. In Example 6..-1/a O l/a Rez all at infinity Fig. But it has a pole at infinity.2 The original path and the transformed path at infinity. It is clear that the uncertainties are not due to deficiencies of measuring instruments (we are concerned here with a system in the pure state |0)). 14.

V62 -a2). . Example 6. hence we consider the following differential equation in which n = 0 . and obtain with this all properties of the solution.e.5.5 The Harmonic Oscillator Equation In the above we considered mainly the energy representation of the harmonic oscillator and encountered the Hermite polynomials.65) f -^Va2z2 . for instance — without deriving all properties of the solutions.2TTI a ^ = . we start with a Laplace transform ansatz for the remaining part of the solution. i.It follows that 1 = s2 i ^V»a*a-i ~2f z=0 2-wi r m '„2 = 7ria 2 La*Va 2 2 2 . In Chapter 11 we perform similar calculations for the radial equation of the Coulomb potential — as in Example 11. In the following we investigate in more detail the important differential equation of the harmonic oscillator. z = 0 V-i 2-Kmov(-Ka2) = n*h = E/v. i. (11. With a2 = -E.1)! (6.c2 = (I + 1/2) 2 (natural units. 1 . 2 .e. £ = n*/w = ( n + .2b = Ze2. but here we leave this . harmonic oscillator and Coulomb interaction. 2ft a2 + 9 c 2 ! / 2 27T In f j — (ac — b) and I3 = <t \-a2 r 2b _ c^n/2 = ^( a 3 6 _a2c2). We can evaluate the integral with the help of the Cauchy formula (the superscript meaning derivative) Jc Hence we obtain (z .( 6 . « qdq + I2 = f dq . After removal of a Gaussian or W K B exponential. in q at infinity). a J \-d- Solution: The solution proceeds as in Example 6.2: Contour integration along a classical orbit Setting q = 1/z.1. verify that II = d> dq yi-92 aq + ft -2TTI 9 /y/F^I 9z V a + bz z=o . Quantum Mechanics of the Harmonic Oscillator This integral has a triple pole at z = 0 (i. mo = 1/2) the integral I2 can be checked to give the eigenvalues for the Coulomb potential -Ze2/q (2 turning points). (m ..a) m = 2 . / " ^ .3.114a)).1. -E = Z2e4/4(l + n+ l ) 2 (cf.) hv. .e.98 CHAPTER 6. are the most basic and exactly solvable cases in quantum mechanics. Eq. 6. 6. since these two cases.1 D e r i v a t i o n of t h e g e n e r a t i n g function From the above we know t h a t the energy is quantized. .5 .

so that the integrand of the remaining integral vanishes. (6. (cf. . (6. W. / dpf(p)e~px the Laplace transform of f(p).67) the latter being the differential equation of Hermite polynomials Hen{t) for integral values of n. (this determines the limits).g.67) we obtain -\ps(p)e -pt] + I P2s(p) + —(ps(p)) + ns{p) e~ptdp = 0.i ^ | (ps(p)) -P n P Integrating this expression. Oberhettinger [181].66) First we have to remove the £2-term. We demand that C(p) := — \ps(p)e~pt] = 0. Magnus and F. Then (with partial integration) *dt = ~*/Ps(p)e. Eq.** We make the Laplace transform ansatz^ (with limits to be decided later) y(t) = [ s(p)e~ptdp.5 The Harmonic Oscillator Equation latter property open for determination later: 99 ~dP + 1 1 2 V> = 0 . fp{ps{p)) = -{v2 + n)s{p). (6.g.68) § = J p2s(p)e-*dp. Thus — ignoring details — / dpf(p)erpx is the Fourier transform of / ( p ) . (11.111)) the Mellin transform of e~p is n!.6. (6. i. E. 80. and / dpf(p)pn the Mellin transform of / ( p ) . since this can give rise to exponentially increasing behaviour (at most a factor t can be tolerated). p.p t dp = \ps(p)e-Pt} .-t*ij& + ny{t) = O. we obtain -P2/2 ln(ps(p)) = — -p — nlnp or s(p) <x |Tl+l P (6. Substituting these expressions into Eq.J ±(ps(p))e-*dp.69) **See e. .e. Hence we set (with the chosen sign in the exponential) m=y{t)e-t2l* with *0. This has to be true for all values of t.

(1) This will be satisfied if \p\ — ±oo. (2) If n < 0.3 The path when n is not an integer. To see this. Eq. consider the exponential in the integrand.-. 6. (6. then for large t we have y(t) ~ exp(i 2 /2). We now investigate possibilities to satisfy the boundary condition C(p) = 0. 6. This exponential assumes a maximum value when pt -\—p2 = minimal. = / • Im p Rep n not an integer Fig. The quantum mechanical wave function is then (cf. since otherwise (with p = \p\ exp(i8)) we will get part of the solution from 0 to infinity. so that p cannot go to infinity. This can be attained if |p| is allowed to be large (t can be of either sign). we can choose a path from zero to infinity (the condition will vanish at p = 0). Therefore we take pt-p2/2 y(t) . so that y(t) ~ exp(i 2 /2). Quantum Mechanics of the Harmonic Oscillator -pt-p2/2 » ( « ) -pt-p2/2 -dp with C{p) = (6.e. Hence a possible path of integration > is from — oo to oo. For single-valuedness. when p = —t (which is possible.3. as indicated in Fig.71) . n must then be an integer. We can show that if \p\ is allowed to be large.n+l between the two limits of integration.70) = 0 P.67)) M) * e"* /4y(t) ~ et +2/ 2 /4 But this is not permissible. The value of the exponential at this point is ~ exp(£ 2 /2). (3) We can choose a contour once around p = 0 in the complex p-plane. Thus the only solution left which does not involve large values of \p\ is that with § Q for n an integer.100 and hence CHAPTER 6. i. y(t) oc 2vri J pn x -dp for n integral and ept p 2 = coefficient of pn in ~^ (6. of course).

.P 2 / 2 00 C—tY ( . The Hermite polynomial is therefore given by H ^{t)-{-^—f—^r~dp. . We can also obtain the derivative form of this Hermite polynomial. The exponential function here is described as the generating function of the Hermite polynomials Hen(t).if n is odd.6. pt p2/2 (6.. Therefore the coefficient of (pt)n in exp(—pt — p2/2) is (—l) n /n\.72) We now obtain the polynomial form with Cauchy's residue theorem as Hen(t) = ( . In y(t) above. 2 . (6-76) .l ) n n ! x coefficient of pn~v in V LJ_L e -p 2 /2 *-^ v\ u=0. The Hermite polynomial Hen (t) is now defined such that the coefficient of tn is unity. the term of highest degree in t in the exponential corresponds to taking all p's from exp(— pt). 4 .„y2 v l { ' ^ r (^) \ 2 ' where v = 0.l ) n n ! x coefficient of pn in = = (~l)nn\ e~ ~ x coefficient of pn in V l z ^ e .5. . . this becomes jfj. . We have 27T! Setting q — p + t.5 The Harmonic Oscillator Equation 101 with Cauchy's residue theorem.3.. n—v even ^ 2 ' Hence we obtain the polynomial of degree n Hen(t) = nl £ see below ( _ 2 ) ( n . if n is even and v = 1.0) p p»+i v ' Hen(t) = (-l)^ e * 2 /2 / 2vri /(9=t) dg " ^(g-i)"+i e ?2/2 = e i 2 / 2 (-|)ne"i2/2.

8. Hen(t)Hem(t)e-t ™ It follows that y ' (27Ti)2 fp=0Jq=0 P "V+l^+l J ^ ^ The integral with respect to t is a Gauss integral^ and yields ePde(p 2 +12)/2 f°° J —OO e-{t+(p+<.g.3: Recurrence relation of Hermite polynomials Show that tHen(t) = (n.102 CHAPTER 6.4: Orthonormality of Hermite polynomials Establish the orthogonality and normalization of Hermite polynomials. we obtain tHe„{t) (-l)"n! ~ i. and we obtain then: -pt-p2/2 —^T-i -pt-p 2 /2-| d : P r e-pte~p2/2 •(n + l) <t —5 f dp - e-pte-p 2 /2 Here the bracketed expression vanishes in view of our condition (6.1 '2dt using Hen(t) = (-l)n27 r . ( n . P-pt-p 2 / -00 /2 -dp.70). n + l) = l. (n. Re-interpreting the remaining integrals with Eq. in radiation problems.n— 1) = n. (6. Solution: We multiply the generating function by a factor t and perform a partial integration on the factor exp(— pt) contained in the following integral (the differentiation of the other factor leading to two contributions).75) as Hermite polynomials. n — l)Hen-i(t).4.5 is a further application of the method for the evaluation of integrals that occur frequently in practice (e. one can construct the tower of polynomials Example 6.7 that we use throughout this text) and their orthogonality and normalization to Examples 6.3 and 6. for the evaluation of expectation values. Example 6. (6.)} 2 /2dt = ePde(P 2 W)/2^^} J —CO .it) _ (n + l)Hen+1{t) (-l)""1^-1)! (—l)"+ 1 (n + 1)! ' tHe„(t)=nHen-1{t) + Hen+1(t). Starting from Heo(t) = 1.59a). Hen(t). as in the normalization of asymptotic expansions of Mathieu functions). We leave the consideration of the recurrence relation of Hermite polynomials (of paramount importance in the perturbation method of Sec. and elsewhere. Quantum Mechanics of the Harmonic Oscillator which we recognize as agreeing with Eq. Solution: We have to evaluate °° 2 . Hei(t) Hen--j. Example 6. (6.n + l ) f f e n ^ i ( £ ) + (n.e.77) = t.

Hence the normalized wave function of Eq. and 0 otherwise \/2n(—l)n+mn! if n = TO. zero otherwise (6. the coefficient of qn+2r-n the coefficient of p"qn+2r m exp(. (6.(n + 2r)\ ' 2 ~ s r '2dt r 2* ^ i / ! ( 2 r + i/)!(Ti-i/)!(s-r-i/)!' Solution: From the above we know that He„(t) is the coefficient of p " in (—l) n n! exp(—pi—p 2 /2).jQ) n n!I ^—' ^Q fi\(n .82) ^ .5 nm . so that /2 Q2(n+r-rf in / ( p ./(n _|_ 2r — /i)!.n)\ i s an+2r-ij.6. g) is n! Next.66) is \Zn\V2w Example 6. g) is the product V^Tre" ^oM!(n-/i)!(n + 2r-M)! (6.5: Generalized power integrals with Hermite polynomials Establish the following general formula for Hermite polynomials: / Jo t2sHen(t)Hen+2r{t)e-t ir n\(2sy.5 The Harmonic and hence Oscillator Equation 103 / = (-!)" But (2iri)2 { J Jp=0 J q-0„ pn+ i0m+l P I e d d P 1- 1 / epq p" <k rrdq = coefficient of qm in epq = — 27ri / qm+1 m Therefore (-IT ^n+m ^ n l I Jp=o ' v d P ' 27U pn-m+1 =2ni if Ti=?7i.q). (6.80) f(p.^ + s 2 ) / 2 f°° 2 e-(P+9+«)*~t /"GO 2 /2di 2 J — oo o = e " /2eP9e"(p+9) / e-(t+p+9+a!) /2d4 J —oo ^/^Tga /2e9Qep(q+«) ^ gl^ The coefficient of p n in / ( p . It follows therefore that the following integral (with an exponential exp(—at) from whose expansion we pick later the power of i) is given by °° 2 / where -OO e-atHen(t)Hen+2r(t)e-t l2dt = n\(n + 2r)\ X coefficient of pnqn+2r in f(p.78) \/27rn!.q) = = e .

^ / 2 * .83) = (n + 2r)!e a / 2 V „ „. n + 2)(n + 2.3 we know that up-going coefficients are 1 and down-going coefficients (n. This result can be verified by inserting in the integral for t Hen(t) the linearized expression obtained with the help of the recurrence relation (6.— — ^ . by n!(7r/2) 1 / 2 .n + 2) + (n.( n + Jr).79). i. As an example we obtain for the integral from 0 to oo (also re-expressing the integral in terms of parabolic cylinder functions Dn (t)): / Jo t 4 f l e „ ( t ) H e n + 2 ( t ) e .° i i f e T 1 ( t ) i f e „ + 2 r ( t ) e .' '2dt= / Jo t4 Dn(t)Dn+2(t)dt = V2^(2n + 3)(n + 2)!. n + 2) + (n. i.(t)e-«2/2dt Now.A i ) ! (6. the relation (n.e.i / ) ! ( 2 r + i/)! > . n + l)(n + l . n.ra + 3)(n + 3. n + 2) + ( n . . n + 2)]ife„ + 2 (t) + ••• . n . n)(n.2s _oo ( a 2 / 2 ) i . i / ! ( n . -. It follows that the coefficient of a 2 s / ( 2 s ) ! in this expression J is the quantity K given by f^ot2sge„(t)Jfen+2t. the coefficient of T 2s -»{s-r -u)\ As we observed.l .r .v)\(s . so that now with integration limits from 0 to oo K = coefficient of a2s (2s)! in J a = 2.104 CHAPTER 6. n + l ) ( n + 1. i. n + 2){n + 2." ) a2^-) r coefficient of (2s)! in f^ (s .v)\(2r + v)\ > Q (2s)!(n + 2r)! AT 2~ s r 2V v\(2r + u)\{n .e. K is the coefficient of a / ( 2 s ) ! in the expression J .r . The result then follows with half the normalization and orthogonality integrals (6. Quantum Mechanics of the Harmonic Oscillator It now follows t h a t — in later equations with v := (n — /i). n + 4)_ffe n +4(t) + [(ra.A o?(. /i = (n — v) _ / r o o e . n — 1) are given by the first index.l ) ( n .^ ) ! ( n + 2 r . Prom Example 6. n + l ) ( n + 1.78).r+v) a2s coefficient of in (n + 2r)\ V (2s)! h . Hence t4 He„ (t) = = Hen+i Hen+4{t) (t) + [(n + 3) + (n + 2) + (n + 1) + n] H e n + 2 (t) + • • • + 2(2n + 3)Hen+2(t) + --. n + 2)(n + 2.n+ l)(n + 1.t • 2l/2dt _ J : Q2 » a2(n+r-^) ~ f ° ° f f „ t2/2 „ !ZoHen(t)e-2 Wdt .u)\ 2s-<—" v\(n . n + l)(n + 1.v)\ ^ Multiplying both sides by the value of the normalization integral. n ) ( n . n + l ) ( n + 1. n + l ) ( n + 1. A « 2 ( r '+ I/ ) 2 coefficient of (2s)! in (n + 2r)\e ' ^ . n + 3)(n + 3.Y^ i[ ^0vKn-v)\C2r + ») cc2s A (n + 2r)! a 2 ^ ..' .77).e '' ^ o^M ! ( n .e. we obtain the result (6.

7.Chapter 7 Green's Functions 7. In particular we derive the time-dependent Green's functions for the case of a free particle and for that of a particle in an harmonic potential. which we write here K(x. which we write G{x.2 Time-dependent and Time-independent Cases In the case of Green's functions we distinguish between those which are time-dependent. The other example of the oscillator enables us to evaluate corresponding expectation values of observables in the canonical distribution introduced in Chapter 5.1 Introductory Remarks In this chapter we consider Green's functions of Schrodinger equations in both time-dependent and time-independent forms. Let H^ = E^> (7.t). which is a point of unstable equilibrium for a classical particle. we consider the sojourn time of a quantum mechanical particle at a point. We 105 . more generally. The first of these cases will re-appear later. We consider first time-independent Green's functions. and those which are timeindependent. This example also offers a convenient context to introduce the inverted oscillator potential. of a differential equation of second order.x'. These are the Green's functions of the time-independent Schrodinger equation or.x'). in Feynman's path integral as the kernel or free particle propagator. which is normally not discussed. and is thus an important point to be noted here. With reference to this case. in Chapter 21 (with a different calculation).1) be the time-independent Schrodinger equation which has to be solved.

x') is defined by the equation* (Ho . since the generalization to higher dimensions is self-evident.5) M = Z*W=EW i l for Ei0) E *- (7 6) - This holds since *For simplicity we consider the one-dimensional case. Eq. appropriately decreasing behaviour at infinity).3) i which has the specific representation ^2{x\i)(i\x') i = 5(x . where £ ( 0 ) = lim E. e. cf. aq2. although the explicit calculations can be much more involved.e. the relation X') = 5{x . for instance.4) where the functions ipi(x) are solutions of HQij)i{x) = E^iix).e.EW)xG{x. of the kinetic part p2/2mo and some part of the potential. The boundary conditions which G(x.g. x') has to satisfy correspond to those of * (to insure e. e. (7. i.2) where Ho consists. The time-independent Green's function G(x. (7. i. (7. . Green's Functions H = H0 + Hi.g. We can readily see that G(x.x') can be written t G (7. (7. 'The case of £(°) equal to some Ei is considered later. We can obtain an expression for G(x. and Hi is some other contribution.13).106 assume a Hamiltonian of the form CHAPTER 7.x') by recalling the completeness relation. square integrability.x'). a perturbation part like (3q4.x').g.x') or ^2^(x)^*(x') i = S(x .

8) is satisfied as a consequence of the completeness relation of the wave functions ij)i{x).EM)X*(X) ( . The time-dependent Green's function K(x.#. x'){E . We see that the initial condition (7. We can see the significance of the time-independent Green's function for the complete problem as follows.E<®)xG(x.x'){E . which consists of the perturbation part Hi of the Hamiltonian and the corresponding correction E . (7.(*'))*fr') Hi{x'))^(x') f dx'5{x .t) since ih^K(x. (JL x'\ t) = H0K(x. For the solution V we can immediately write down the homogeneous integral equation (again to be verified below) *(a.x.7) with the initial condition K(x. We rewrite the complete time-independent Schrodinger equation H^ = E^ as (#0-£(0))* = (£-£(0) -#/)*.x'.0) = S(x-x').10) The contribution on the right hand side is the so-called perturbation contribution.x'.t).t) = ^Eie^ihM^i(x') i = Y^eE^ihUx)^(x').11) = = 3) = fdx'(H0 .x')(E . .E® (E-E{0) -Hi{x))m{x)..9) = i H0YieE^i%(x)^(x') = H0K(x.7.Hi{x'))^(x').8) This Green's function can be seen to be given by the following expansion in terms of a complete set of states (see verification below) K(x. i (7.2 Green's Functions: Time-dependent and Time-independent 107 We note that the Green's function possesses simple poles in the plane of complex E(°\ and that the residue at a pole is determined by the wave function belonging to the eigenvalues Ei.t) (K for "kernel") is defined as solution of the equation ih—K(x. . (7.E^ of the eigenvalue. (7.E^ We can check this by considering (H0 .£(0) .x'.) = f dx'G(x.x'. x'\ t) (7.

14) We can now see the significance of the time-dependent Green's function K(x.2 (not contained in the first edition!).x'. Booss and D. see B.6) is not defined. D. (7. Instead of Eq. All such methods of solution are based on the analogy of Eq. see E. (7. J. Miiller-Kirsten and A. then at best such a contribution would be something like cipi(x). that (E . H. 17. Merzbacher [194].e. . Green's Functions Can we add on the right hand side of Eq. Bleecker [33]. In this case the perturbation is restricted to that subspace of the Hilbert space which is orthogonal to ipj. (7. i. But if we assume that E^ ^ Ei for all i. In cases where an inhomogeneous contribution is given.6) we would have (7.11) an inhomogeneous term which is a solution of the non-perturbed part of the Schrodinger equation? If we keep in mind the anharmonic oscillator with square integrable wave functions ^(x). W. Sec. the function ipi(x) would not be a solution of and it is not possible to add an inhomogeneous contribution. it is possible to solve the integral equation by an iterative perturbation procedure (see later: Born approximation). if we assume that E^ = Ej.11) are called (homogeneous or inhomogeneous) Fredholm integral equations.15) ''This problem and its circumvention can be formulated as a theorem.t) for the complete problem as follows. This difficulty* can be circumvented by demanding from the beginning that 0= f dx'tf(x'){E-Ej-Hi(x?))V{x'). The time-dependent Schrodinger equation ih-\><l>)t = H\il>)t (7. Examples in various contexts have been investigated by L.. however. Wiedemann [183]. Maharana. But then the Green's function (7. The theorem is also known as Fredholm alternative. 2nd ed. (7.12) Equations of the form of Eq.108 CHAPTER 7. In general. (7.Ej ffj(x'))*(a:') is a vector in TL which is orthogonal to ipj.11) with a system of linear equations of the form Vi = Mijyj. This will be different. integral equations are more difficult to solve than the corresponding differential equations.

i. (7.17) as initial condition is obviously W)t = Y. *>0.7) with Eq. for the oscillator potential. e.t) is known.t)il>(x'.t) = J2 fdx/^n(x)^*n(x')^(x'. 2nd ed. Comparison of Eq.. (7.20) the Green's function K(x.19) i/>(x. Eq.g.t) describes the evolution of the wave function from its initial value ^(a^O). (6. 7.2 Green's Functions: Time-dependent and Time-independent permits stationary states \En) defined by \1>)t = \En)eE^ih. 1 See e.The solution of Eq.x'. (7.t) = ^ e £ " f / « V n W < ( ^ ) . 109 (7.' which obviously satisfies the initial condition K(x.18) or.e. We use this in Sec. t > 0. We can write this expression also as§ ip(x. . x'. we assume that the set of states \En) is a complete set of eigenvectors of the Hamiltonian H (in the energy representation or energy basis) so that (cf.21) dx'K(x. (7.x'. (5.15) which contains (7.7.22) According to Eq.5. (7. \En)(En\ip)t=oeE^\ n (7.0). t)\2. Merzbacher [194]. H\En) = En\En).x'.20) is the time-dependent Green's function. (7. (7.42)) Wi=0 = E l ^ ) ^ l ^ = o n (7-17) Thus at time t = 0 the state \ip)t is a linear superposition of the vectors \En) with coefficients (En\i/})t=o.17) is the initial condition of \4>)t.16) As usual.2 for the computation of the sojourn time. p. in different formulations.158.0)eEnt/in. x'.g. t) with the Note that when K(x. E.t) = where if(x^'. this relation provides the probability density \ip(x.Q) = 6(x-x'). <a#) t = ]T n J [dx'(x\En)(En\x'){x'\^)t=0eE^\ (7.51) shows that we obtain a very analogous expression for the density matrix PN(P) a s for the Green's function K(x.

110 CHAPTER 7. As a consequence of the above considerations one wants to know the connection between the time-dependent and the time-independent Green's functions. (7. Green's Functions difference that (5 = 1/kT plays the role of it. In the following we shall derive the Green's function for the case of the harmonic oscillator.E . 24 ) - ReE Fig. x')6(t) (7.x') and K(x.e.25) in agreement with the time-dependent Green's function . 7. We therefore consider the following integral with e > 0: I(t) := -i J ^eEt/*hGE^e(x. Jc 27T „ hn . t) = J2 e £ " f M i ( x ) < ( x ' ) .1. between (with E^0' = E) G(x. x'. 7.x') = GE(x. t > 0. we obtain / W : = .1 The contour of integration.ie (7 . = J2 ^„(s)C(*') En — E We see that G = GE depends on E.i /f e «/.t).t) K(x. With Cauchy's residue theorem we obtain I(t) := J2eEnt/ihMxWn(x'Mt) n = K(x. i.«^|«2 W .23) along the contour C in the plane of complex E as shown in Fig. Inserting for GE+ie the expression above. we obtain then also the corresponding density matrix.x'.x'.

t) = ^e-B^-X In this case we have dK ~dt and dK dx 2 8K dx2 A A 2t3/2 A tV2 '^'K (7. we obtain *I-£I = h2 -—(-2AB). It is clear that it is nontrivial to solve an equation like Eq.e.29) tJJ 2 2B(x .t). which is moving in one space dimension.7. We therefore consider first the simplest case with Hn = P 2mo h2 a2 2mo dx2 (7.30) into Eq.0) = 1. and identifying coefficients of the same powers of t on both sides. K(x.27) An equation of this type — called of the type of a diffusion equation — can be solved with an ansatz.e. (7.27).x'.31) The constant A has to be chosen such that K(x. 2mQK h h2 ih(AB) = --—{4B2A). Thus we try the ansatz. B m0 n _ 2ih 2iK (7.x>. .29) and (7.x1) t -B(x-x')2/t -B(x-x')2/t 2AB 4AB2(x-x')21 ~¥l 2+ W 2 (7.28) B(x-x')2 t2 D-B(x-x') 2 /t (7.30) Inserting Eqs. i. In this case the Green's function is the solution of the equation d h-K(x.26) This is the case of a free particle with mass mo. (7. (7.7).x'.X>.t) t h2 = . v ' 2m 0 v h i.x'.— d2 —2K(x.0) = 5(x-x'). (7.3 The Green's Function of a Free Particle The time-dependent Green's function of a free particle which we now derive is an important quantity and will reappear later in Feynman's path integral method. A and B being constants. / dxK(x.3 The Green's Function of a Free Particle 111 7.

Mx)^M^) „ n so that J =^ . t) = /jJo_ e -mo(«-«') 2 /««. (7. 2m0 (7. 1st ed.21). from K{x.36) |^ W Q ^ J e-mo(i-i') 2 = —eP2lia 27T dke~^k-^2^2 J„00 /2«tS .33) V Lirvnt Can we demonstrate that this expression can also be obtained from Eq. v27r En^^-.zEnt. we have This is 1 provided A=JB= ^ (7 . j3 = i(x-x'). (7.38) . (7.x'.35a) K(xy. 32) It follows that x'.oo 27T (7..x'-t) = Y.36) 2mo Then — provided that the parameters assume values such that the intergral exists — K{x.(7.ihMxWn{x').t)= f^em2t/2m0iheik(x~X')_ J 27T (735b) We set a = i-—. n For a free particle moving in the one-dimensional domain \x\ < L — oo. (7.t) = — / dke-ak2+Pk 2vr J. (7. "See the excercise in E. *>0. we > have to make the replacements V ^ fdk.20) and can then obtain ip(x.112 CHAPTER 7.H We can insert the expression for K(x."737) \27rii/i in agreement with Eq. Green's Functions For parameter values such that the following integral exists. 158.34) K(x. p.t) into Eq.0)oce"Qx2+ifcox.33). (7.x'. Merzbacher [194].e. i.t) — for instance for a wave packet given at time t = 0 of the form ^(x.

. (7.e. .t) 1 + -m0u2x2K(x.x'.7.X .39) In this case the time-dependent Green's function K of Eq. HQ = ^—p2 ZrriQ + \m0uj2q2.25) — in the context of Feynman's path integral method.d r. x'. mQLu . i. / ) (7./ ) + fK(x. -§jK(x.t) = h2 2 d2 TW .4 Green's Function of the Harmonic Oscillator The next most obvious case to consider is that of a particle subjected to the harmonic oscillator potential.e.33). 7. z .x'. We consider the one-dimensional harmonic oscillator with Hamilton operator HQ. (21. —ih—K(x. 1 2mo u>n ox n with the initial condition (7..42) .x'. 5{ax) = ± J eikaxdk = ArS(x).t) We now set h2 d2 = . .——K(x.e. in this domain *Recall that S(x) = ± f eikxdk. We rewrite this initial condition in terms of £ and use for a = const.40) Then Eq. . I (7.x'.x'. x'. (7.7) is the solution of d ih—K(x.40) becomes 2 . the relation* 6(x) = |o|<y(os). -—-KK(X.8). i.t).t). x'. .t) + -~-x K(x. (7. (7. (7.3 The Green's Function of the Harmonic Oscillator 113 The result (7.37) will later be obtained by a different method — see Eq. . / ) = ~^K(x.e.43) so that In the domain of small values of x (near the minimum of the potential) the Hamiltonian HQ is dominated by the kinetic energy. .x usn ot i. i.. K(x.0) = 6(x-x') at / = 0.

114 CHAPTER 7. (7.4a 2 )£ 2 . a = . Identifying coefficients on both sides. W ) . it • is suggestive to attempt for K the following ansatz^ m. Integrating Eq.50c) (7. Feynman [94]. (7.e. as the limiting case / — 0.c o t h 2 / . i.47) becomes (7.f) with a(0)-»-y. 50.e. (7. Green's Functions to the particle behaves almost like a free particle.. b' = -Aab.45) in accordance with (7.49) a=icoth2(/-/J0 ) w 2 "' 2tanh2(/-/0) * To ensure that the expression (7. (7.51) See R.^ . P.4a&£ + 2a .50b) (7.48).47) We insert this ansatz for K into Eq. (/ = 2a.) a'£2 + b'i + c' = (1 .x'. c(0)-|^.Z'.48) ocexp[-{a(/)C 2 + 6(/)e + c(/)}] (7. that is.50a) we obtain (7. K { ^ f ) ^ ^ e ~ { ^ ' ) 2 / i f f r ° ^ ' (7 -45> The same approximation is also valid for large energies E and for t or f small (near zero) in view of the relation AEAt ~ h. .33). we must have /o = 0. (7.42) and obtain the equation (with a1 = da/df etc. so that for / — 0: > a^—.50a) (7. and we expect K(x. f i.b2.b2. (7. p.46) If we interpret Eq.45) in this sense.t) become similar to expression (7.4 a 2 . we obttain a' = l .

2. . (7.45). K(x. we must have (besides A = —£') = /m 0 u.50c) yields for c(/). (5. c(/) = i ln(sinh 2/) + ^ 2 c o t h 2 / . (7. p.£) _ | {(x2 + x /z ) cos tot — 2xx'} 2msm(o. (7.x'. in particular for the derivation of the sojourn time in Sec.e.54) For t —• 0 this expression goes over into the expression (7. x . Comparing the Eqs. as one can verify.27).55) 'For an alternative derivation and further discussion see also B. 7.X'. as we shall see in the following. In order to satisfy Eq. if we return to x. B independent of / . 115 To ensure that in accordance with Eq.51) for the density matrix PN(X. 174.40) of the time-dependent Green's function with Eq. (7. / —————rexp y 27rmsin(u.t) = .x'.c(f) K = 5 =exp Vsinh 2 / into Eq. Finally Eq. with A. x'.33) for the Green's > function of a free particle. we can use K(x./3) = J IJIQUI 2irhsmh(hLu/kT) 2hSinh(hw/kT) \{X +X j C x exp ° S n kT lXX J (7. t. (7.i) (7.7. and to ensure that we obtain the prefactor of Eq. x') of the density matrix p^ (with respect to the canonical distribution with (5 = 1/kT): pN(x.47) we obtain ^ c o t h 2 / + ^ + ^ c ° t h 2 / (7. (7. i.In B.e. (7.* With this result we have another important quantity at our disposal. (7.b(f). c(0) = £' / 4 / .48) 6(0) = — £'/2f.0).48). i.53) or. we must have A = -('.50b) Kf) = —r^77) smh 2 / A independent of / . 2TT^ Inserting a(f).t) to obtain this element (x.5. Felsager [91].3 The Green's Function of the Harmonic Oscillator Correspondingly we obtain from integration of Eq.

52.x. we skip the algebra here. (5. Green's Functions With this expression we can evaluate (cf. Feynman [94].e..p)dx W ) = —^r = —p . = jdxp(x.52): Tr (PNq2) Jx2pN(x. Eq.40)) 1 e-pEi 1 Ui = y.56b) w v ' 2mQu} 2kT 2m 0 u ' What is the meaning of this expression? At temperature T the fraction (cf.x. ^—• Irpiv J pN(x. we obtain § < Z> = ^ c o t h ^ ^ ° — . )x Inserting into Eq. Eq. . R. (7. P.56a) {q2) = = Y. For instance we have with Eq.p)dx Thus for (q2) = Tr(pq2) = ^2i(i\pq2\i) we obtain: 2 (7.56a) the expression (7.» l.52)) the expectation value of an observable A in the canonical distribution (i. 11 For T ~+ 0: u>0 . at temperature T): {A) = Tl{pA) = ^ > .P) 2. Thus the system is in a mixed state and the expectation value "Cf. (5. e-P E i = i + y.uij>0 ->• 0. we verify the relation: (Q2) ~ dxdx'(x\p\x'){x'\q2\x) = / / dxdx'(x\p\x')(x'\x) x2 x){x\p\x')(x'\q2\x"}. [ [ fdxdx'dx"(i\x}(x\p\x')(x'\q2\x")(x"\i) Idxdx'dx"{x"\i){i\x){x\p\x'){x'\q2\x") J2 [ [ i = fjf^»(x>)(xW)(xW) dxdx'dx"5{x" i.x. <2 (7. p..e-ft >-E*) E (7 57) ' of the number of systems of the ensemble occupies the quantum mechanical state i.116 CHAPTER 7. (5.e.55).

QUJ (7. In this case the Green's function K(x.54) is K(x. If we consider the system in the pure state \i). the expression for (q2) would be:'I (fti = J(i\x)x2{x\i)dx j(i\x){x\i)dx (Q2)o = h 2m.59b) n+ l \ ftwt here 2hf exp _ i ( n + . which means in the oscillator state \i) with eigenenergy fku(i + 1/2).50) we obtain. t) = J2 eEnt/ihct>n{x)<t>n(x')For t > 0 and En = (n + l/2)frui the factor exp(Ent/ih) exp is (7. x'. 1 mo^ exp lmow / 2 2 ft X (7. This is the first and hence dominant term of the expression (7. We assume t > 0 and t —> oo. <*2>o dxx a •K j e IT I da r dxe-ax *\1/2 da a J _ 1 _ _ h 2a 2mou j —( . (6.7. of K(x.58) Next we explore the connection between the explicit form of K and the latter's expansion in terms of a complete set of states.J (w — ie)< e -(n+l/2)Et e -i(n+l/2)u.56b) is that with respect to this mixed state (whose cause is the finite temperature T).t) w—>UJ—ie to—n t—>oo moco/irh ^ ' piuit g—iwt exp m ^\(x 0 ^ .t "With the normalized ground state wave function of the harmonic oscillator given by Eq.54). i.59a) E 0 = ^fiw. (7. t) of Eq. setting a = mooj/h. We return to the Green's function (7. e > 0.e. x'.x'. /2N 2~7T: = eE°/iht(t>Q(x)(t)0(x') for £ > 0.21).3 The Green's Function of the Harmonic Oscillator 117 (7. 2 + x'2)l-e^-2xx' to—>w—it t—>co 2 . and we replace to by LO — ie.

61) The word "plane" implies that the points of constant phase <p := k • r — uit at t = const. We first introduce the concept of a wave packet and then use the particular form of a wave packet in order to describe the state of the particle at time t = 0. as in Eq.e. lie on surfaces.5 The Inverted Harmonic Oscillator We encountered the inverted harmonic oscillator already in some examples. i. However quantum mechanically in view of the uncertainties in position and momentum. the velocity of planes of equal phase.59a). of dpN as pN(x.118 CHAPTER 7. |k| = k.5. In a very analogous manner we obtain the solution of the equation for the density matrix.(3) = J2^EnMx)K(x') n „ ^ ° e-^MxWo^')- (7-60) 7.1 we estimate T semiclassically. which are planes. to infinity) the contribution with n — 0 dominates. (7. Considered classically. In the following we want to calculate (more precisely estimate) with the help of the Green's function the time interval T which a pointlike particle can stay at the maximum of the potential before it rolls down as a result of the quantum mechanical uncertainties.1 W a v e packets The simplest type of wave is the so-called plane wave or monochromatic wave of frequency UJ represented by the expression exp[i(k-r-wt)]. (7. the particle will stay there only for a finite length of time T. i. is defined as vv = . (7. 7. Green's Functions For t large (i. In Example 7.x'.e.62) . and with this we estimate the sojourn time T. The wavelength A is given by The phase velocity v<p. a particle placed at the maximum of the inverted oscillator potential (which is classically a position of unstable equilibrium) will stay there indefinitely..e.

essentially again a Gauss curve.e. e . (7. The wave packet describes a wave of limited extent. then ^(r. i. the fundamental postulate on matter waves in Chapter 2): E = hu. /-OO / / / oo /*oo \f{k')\\f(k")\ei^W-^k"»dk!dk" l/(fe.64) where / ( k ' ) differs substantially from zero only near k' = k.7.k ') 2 . We now ask: How and under what conditions does the time variation of the function ^(r.e. t) describe the motion of a classical particle? For reasons of simplicity we restrict ourselves here to the one-dimensional case.<p(k"))}dk'dk". to the function ip given by oo / fik'y^'x-^dk'. i. ' t) dk'. (7.Q ( k . u = w(k). e.63) The relation u = w(k) is known as dispersion or dispersion law. duo' da .65) Let f(k') = \f(k')\eia and <p := k'x . One defines as centre of mass of the wave packet that value of x for which d(p — = 0.4 The Inverted Harmonic Oscillator 119 Every frequency u belongs to a definite (particle) energy E (cf. -oo (7.Jt + a.)-¥'(*:")) +ism(<p(k') . If we assume for / ( k ' ) a Gauss distribution. x-t— + — = 0. for which \ip\ assumes its largest value: OO . ^ ( r . / -oo J—oo . t) is the spatial Fourier transform of this Gauss distribution — as we know. i ) = /*/(k')e i(k '" r -'' . A wave packet is defined as a superposition of plane waves with almost equal wave vectors k. i. or dco' da The centre of mass determines the particular phase. a > 0 .e.)ll/(fc")l[cos(¥'(fe.

a > 0. p = hk the group velocity is equal to the particle velocity v.fc w> vv = ~a^ = S r a d P E «i7 Sd u . Solution: The function to be calculated is the integral dxe-ax -OO ezkx.120 CHAPTER 7.^ g=r a rad. we can use a simpler method.e. The three-dimensional generalization is evidently du .. Thus the expression g{k) is solution of the following first order differential equation g'(k) + Aff(fc) = 0.67) The centre of mass moves with uniform velocity vg called group velocity of the waves exp[i(kx — cut)]. 9 cku dk dhw dhk dE dp dE dp' We can also argue the other way round and say: By identifying vg = v. .— g(k). (7. Green's Functions This expression assumes its maximal real value when <p(k') = ip(k") = const. however. .69) In general one uses the theory of functions for the evaluation of this integral. we obtain the de-Broglie relation p — hk.1: Fourier transform of a Gauss function Calculate the Fourier transform of the spatial Gauss function e . i. For E = hio. (7. as claimed for ||=0. Example 7. In the present case. dE v 9 = . = — (7-68) It is instructive to consider at this point the following examples. Differentiation of g(k) yields g'{k) = / dxe~ax -2a y_oo 7 f°° 2 {-2ax)eikx = 7 2a / f°° J-x dx With partial integration we obtain from this 7 f°° 2 k g'{k) = — / ikeikxe-a* dx = .

7. XZ (e > 0).74) Example 7. Miiller-Kirsten [215].43) one can verify the following important relation* 5[{x -a)(xb)] = T—!-— [S(x .&)] for a + b.0 0 7T 7 0 7T e From Eq. with partial fraction decomposition. We have — 1 / * ° ° dke~eWeikx = - I / " 0 0 dke~tk cos kx = - 1 . \a — b\ (7. (7. 2 f + . —±=e-k*/ia2 / 4 " = lim 1 — — lim ^e-* = The second important example can be verified by immediate integration.70) we obtain 6(h) = lim — f°° dxe-ax2eikx = . W..71) (7. or see H. Since /•c 121 9(0) = J—00 dxe J_ we obtain S(fc) = ^ e " f c 2 / 4 a ( 7 . Example 7. (7.70) to verify the following representations of the delta distribution: -X2/€2 5(x) = lim ?—=e ^ o eV7r and 5{x) = \\m-^r^. g ..72) Solution: From Eqs.. (7. J.73) we obtain the requested representation of the delta distribution with 1 f°° 1 € Six) = lim — / dke~e^eikx = lim ..Afc = 81n2.1 verify the uncertainty relation Aa.69) and (7.3: The uncertainty relation for Gaussian wave packets For the specific Gauss wave packet of Example 7. where c = 9(0) is a constant. Appendix A. (7.69) and (7.r „• With the help of Eq.2: Representations of the delta distribution Use Eqs. (7.4 The Inverted Harmonic Oscillator Simple integration yields g(k) = c e " f c 2 / 4 a .7 °) With the help of this example we can obtain some useful representations of the delta function or distribution as in the next example. (7.73) 27T 7 . (7.a) + 6{x .. .75) ' E .

The breadth A/c of the curve g(k) around k = kg. Thus a sharp maximum of the function f{x). where | / ( x ) | = m a x | / ( x ) | / 2 . (7.2 The Gaussian curve. 7. In quantum mechanics the square of the modulus of the wave function ip(x. Thus a slim maximum of the curve of |/(a.« 2 ( * .2 we sketch the behaviour of the Gaussian function p—x 11a ~—ikox (7.78) It follows that the product of the uncertainties is AxAk = 8 In 2. i.76) 2ira The uncertainty Ax is defined to be the width of the curve at half the height of the maximum. Green's Functions 1/(27i)1/2a — 1/2(2. A simple calculation yields A i = 2v/2~In2a.e.t) is a measure of the probability to find the particle at time t at the position x.70) the Fourier transform of f(x) is (7. where g(k) = max|<?(fc)|/2.)| leads to a very broad maximum of the Fourier transform \g(k)\.* o ) 2 / 2 .77b) (7.g. The wave function corresponds to the function f(x) in the above considerations (e.e.77a) small values of a. Solution: In Fig. is Afe = 2 V 2 1 n 2 - (7. (7. requires according to Eq. the width Ax is a measure of the uncertainty of the probability.r)1/2a Re f(x) Ax Fig. According to Eq. and hence implies large values of Ak.CHAPTER 7. 7. at time t = 0). when Ax is very small. i. Physically .77a) g(k) = e .

Lamb at Oxford set the following problem in an examination in 1957: "A pencil is to be balanced so as to stand upright on its point on a horizontal surface.2 A particle's sojourn t i m e T at t h e m a x i m u m The very instructive topic of this subsection has been explored in detail in a paper by Barton. Estimate the maximum length of time compatible with quantum limitations before the pencil falls over.«> = / ^ C ' W . many supposedly elementary problems request the calculation of the sojourn time of a quantum system near a classically unstable equilibrium configuration.t) = V 27Ti s i n h t exp 2 sinh t {(x2 + x'2)cosht-2xx'} . the less precise is the determination of its associated momentum. In the same limit the momentum uncertainty Afc grows beyond all bounds.79) According to Eq. Barton recalls that W.. the wave packet has its centre of mass at the origin and has the following Gaussian shape as the pure initial state: iP{x^) = ^L=e-x2l2b\ (7. (7.54) these parameters appear in the combinations moui/h (dimension: l e n g t h .75) implies therefore: The more precise the coordinate of a microscopic particle is determined. (7. Barton [15]. nr- = S(x).7. <7*» We assume that initially. ^In Eq.e. Thus G. (7. This means the particle is localized at x = 0.5. (7. In the limit a — 0 we obtain from Eqs. The result (7. i. E. Drastic idealizations are then required in order to reformulate the classical situation into that of a quantum system. .h = 1. at time t = 0.20) the wave packet at time t > 0 is obtained from that at time t = 0 with the relation «-.71) > and (7. As G. (7. For reasons > of simplicity in the following we set in addition t mo = l. The function g(k) is therefore described as momentum space representation of the wave function f(x).x'. so that Ki0(x. Barton mentions at the beginning of his paper.76) e-x 2 /2a2 ^2na a->0 um 1/0*01 = lim a^O .4 The Inverted Harmonic Oscillator 123 p = hk is the canonical momentum associated with x. 7..2 ) and U)t.81) *G.". In the reverse case a sharp localization of the particle in momentum space implies a correspondingly large uncertainty of its spatial coordinate. O ) .u> = l. which means all values of the momentum are equally probable.54) with the substitution ui — iu.* We obtain the Green's function K{0 for the inverted harmonic oscillator from Eq.

(7. + cosh 2 1. 9 (7.86) Evaluating the Gaussian integral of Eq.84) dx' oo tvirl/2b With some algebra one can show that -(B2 2y and A2 sinh 2 t f7 s ^ sinn / + icotht) = .124 CHAPTER 7.80) we obtain „/2 oo ex P 2 s i n h t { ( : C + x')^ht-2xx'} \/27usmh .. A .82) i/f(x. (7.85) = —r= o2 7 2 sinh 2i. Green's Functions Inserting (7. so t h a t (this defining C(t) and the imaginary part ip on the right) -{B2 + icotht) sinh 2 1 + (i/26 2 ) sinh 2t ( l / 6 ) s i n h 1 .2 (7. ' 2\Aswht % cosh t (7.. .79) into (7.87) <9 2 „9 2 sinh21 i? = A + B f / ^ d x e " ^ / 2 " 2 = v^F<*.88) .81) and (7.-(Ax' + Bxf \/27risinh + -(B2 + ^cothi)a.(i/2) sinh 2t 2 2 2C 2 (i) + *c^.t) = A\/2msmh 2TT 2 /2C2+i<px2 tVir^b In t h e further calculations it is convenient to set t a n 29 = b2cotht Then ~A 4 and VA + iB := ReiB (7.t) = J oo P .84) we obtain* ip(x.t) = J oo dx' Setting A2:=±we can rewrite ip as ex b2 and AB sinh t' (7.83) sinh 2 t + (i/2b2) sinh 2i 2 sinh £ 2A 2 sinh 2 1 (7.cosh t sinh t' Wisll2b ^ (7. = .83) ip(x.

4 The Inverted Harmonic Oscillator The real part of Eq. since dy Jo the derivative dT_ ~dT For b = 1 we have f°° dt-= / (7.92) The sojourn time T is now defined as the mean time T given by T:= r*° i-oo 2 (M)s r*(-f4 d^e. We have therefore .t)\' 2 125 (7. t) the phase ip drops out and one has (x.t)= where Co(t) / dx\^(x.t)\' 2 exp[-x2/b2] rrVaft In the following we choose 6 = 1 .7.95) . C2(t) (7.89) = exp[-x2/C2(t)} 7rV2C(t) (7.t)\2 J-i =-= 71 / V " Jo dO ? 6' (7. The probability for the particle to be at time t still within the distance I away from the origin is plausibly given by Q(l. •&(t)=//c(t) = / or.86) has C2(t) := b2 cosh 2 t + 72 sinh 2 1. _2 1 exp C 2 (i) = l + 2sinh 2 i. In taking the modulus of ip(x..-£ 2 (7.93) where —{dQ/dt)5t is the probability that the particle leaves the vicinity of the origin in the interval St around t (partial integration leads from the second expression back to the first).91) C(t)' (7.90) with the expected limiting behaviour \im \ilj(x.94) / dxf(x)=g'(y)f(g(y)). (7.

1 ) 2 \n J ^-"•""ff^-^-V^K?. B.97) sinh 2 1 = .=0 V^ C'(t) I Jt=0 V^ (7.99) . 136. £ 1 dr\ 2Z %_ rl 2 2 yfx Jr. Dwight [81].From this we obtain C(t) C'(t) Z2 ^(r?2_.e ~' V^~i Jo Vn~i Jo ^ rx=VM _Jl 2 Using the following expansion of the integral* _ _ r e~*' dt L 2 « 1 2e~*2/2 7T X /2^7-. p.126 We set I C(t)' so that dT ~d~l Now. we obtain dT _ 1 ~dJ~l 'See for instance H.96) °° l Jr.=o V(i -v W + v2) o-V "dT J L 1 f A -x 2 __H_I r'=s/21 Adx'-.(4 2 .. V and (cosh t = y 1 + sinh2 t) 1 r CHAPTER 7 Green's Functions dr} dt C'lt) ' C(t)' (7.98) We insert this into Eq.= \ / l + 2sinh 2 t. (7. C(t) = .97) and obtain dT ~dl or with £ = ?y/7: 2 2 d^e.. + 0(e-'2) (7.2)(p_7?2)(7.

101) A more detailed evaluation of the constant can be found in the paper of Barton cited above. p. is instructive in revealing the basic quantum mechanics involved in the finiteness of the sojourn time. 7. U) (7.4 The Inverted Harmonic Oscillator 127 for I sufficiently large. 238.3 How stable is the particle on top of the eggshell in quantum mechanics? E x a m p l e 7. B. The equation there describes the classical "rolling down" of this tachyon. T h e following Example 7. See e. Solution: In the case of the inverted oscillator (representing the egg) we have in the usual notation the classical Hamiltonian Hwith time derivatives dH dp P mo ' max = p dH dx = mow x. this equation is the equation of motion of this scalar field with negative mass-squared. 2 2 2mo -mow x The classical equation of motion is therefore' it — uj x = 0 (7.102) 'As a matter of interest we add that in the theory of a free scalar field x. It follows t h a t T~lnZ. this is T ~ -]n(ly/mou>/h). Such a field arises in the spectrum of states in string field theories and is there called a "tachyon".7. (7. also motivated by this paper.100) Re-introducing the dimensional parameters we had set equal to 1. .4: The sojourn time calculated semiclassically A tiny ball of mass mo is placed at the apex of an upright egg.g. Fig.4. Calculate with the help of a semiclassical consideration the (quantum mechanically limited) maximal length of time which passes before the ball is observed to roll down. Explain the parameters entering the calculation. Zwiebach [294].

and for simplicity we take (cf. For h —> 0 the time T —• oo in agreement with our classical expectation.102)) p(0) = ^/(p 2 >. v A x A p = \ (x2)(p2) v = m0u(x2). (7. pifi) have to be replaced by the positions of the spatial and momentum maxima of a wave packet. / 7 ^ 2 =2J(x }. so that e. x(0) = A.103) to VV h Here I is a largely arbitrary but macroscopic length like the length of the power of resolution of a microscope — so to speak. 2V ' Let A and Bio be the values of x and x at time t = 0. Quantum mechanically x(0). so that x(0) + il^-L mow It follows that For a minimal uncertainty (hence the factor of 2 in the following) we then have -h= 2 Hence uT P ( ° ) _ O . 2 x(0) ^ where A i . i. so that AxAp= In our semiclassical consideration we set therefore x(0) = y/{x*). CHAPTER 7. (10. Thus quantum mechanically x(0). Ap= v /(p 2 )-<p)2. the smallest macroscopic length. For a symmetric state like the usual ground state of the harmonic oscillator we have (since the wave function is an even function. and solution x = A cosh Lot + B sinh cot. but instead are subject to an uncertainty relation of the form AxAp > -h. (x 2 ) h 2mou 2mou> and so l^J^ULl).128 with x2 = LO2X2 + const. Eq. 2 10 x(0) = B u . Thus we set I = A cosh LOT + B sinh coT ~ -(A + B)e"T.e. (p2):=mW(x2). so that raoto _ We assume now that at time t = 0 the ball is placed at the point x(fi) with momentum p(0).5)) Ax = <J(x2)-{x)2. . i.g. (7.e. ^(x2)(p2). Green's Functions x = Aco sinh cot + Bco cosh cot. A p are defined by the mean square deviations given by (see Eq.p(0) cannot be determined with arbitrary precision. We ask: At what time T > 0 does the ball reach the point with horizontal coordinate x = I. the expectation value of x is the integral with an odd integrand) <x) = 0 = <p).

129 . An example permitting convergent perturbation series is provided by the trigonometric potential cos 2x with one-dimensional Schrodinger equation given by ip" + [E.E^ is already a bigg problem. For mathematical purists the question of convergence of the series is an even bigger challenge. Frequently even the calculation of the next to leading contributions ip^.1 Introductory Remarks The Schrodinger equation can be solved exactly (i. one would set tt E = = ^(°)+/ty. In the case of the harmonic oscillator potential ax2 the Schrodinger equation can be solved exactly with ease.2h2 cos 2 a # = 0. EW+(3EW+(32EW + --- ((3 can also be thought of as a kind of "book-keeping" parameter in retaining corresponding powers of some kind of expansion).Chapter 8 Time-Independent Perturbation Theory 8.e.(i)+/^(2) + -". but this is no longer the case for an anharmonic oscillator potential like ax2+(3x4. In general perturbation series do not converge. in closed form) only for very few potentials.e. i. It follows that in general one depends on some approximation procedure which is usually described as a perturbation method. The perturbation method generally described in textbooks — and frequently called Rayleigh-Schrodinger perturbation theory — consists in assuming power series expansions for the wave function * and the eigenvalue E in terms of a parameter like (3 which is assumed to be small.

Meixner and F .2) n—»oo n It is interesting to compare the behaviour of the series (8.= 0 < 1.g. the expansions in ascending powers of the parameter h2 can indeed be shown to have a definite radius of convergence.. ^For further details.• + (-ir~ X X* 1' 2' r?l Xn + Rn(x). J. h hl are in the strict mathematical sense divergent.* i..g. Actually expansions of this type which are ubiquitous in physics are so-called asymptotic series which were originally also described as semi-convergent series in view of the decreasing behaviour of their first few terms.g. (8. at the end of Chapter 26) — and by comparing the results of WKB. . E = E^ + h2E^+hAE^ 7-1 72 7 + --.. N. 0.2 Asymptotic Series versus Convergent Series Before we actually define asymptotic series we illustrate some of their characteristic properties by considering specific examples which demonstrate also how they differ from convergent series. p. Whittaker and G. Time-Independent Perturbation Theory In the case of this equation.2 However. the expansions in descending powers of h2.130 CHAPTER 8. . E. Schafke [193]. which is known as the Mathieu equation. It will be seen later (e. T. concerning also the uniform convergence of the exponential series. (8. see e.e. Cll E = a_ 2 n + a_i/i + a0 + — + —r -\ . 8. 581.. This convergence can be shown with D'Alembert's ratio test since''' lim . The series n=0 of the exponential function is well known to converge absolutely for all real and complex values of x.3) *See e.+ . In the following we explain the difference between convergent and asymptotic series. Watson [283]. perturbation theory and path integral methods — that the light-minded way in which perturbation theory is sometimes discarded is not justified. the expansions i> = v (0) + /*V (1) + /*V 2 ) + • • •.1) and its terms with the behaviour of the following series and its terms: f(x) = 1 . W. e.g. explore the latter in somewhat more detail and finally consider methods for deriving perturbation solutions of the Schrodinger equation.

However.. .4) for every value of x. From the Weierstrass product which defines this function* one obtains the series _ M*-l)! = -7(*-l) + E [ ^ . Whittaker and G. and we see that the moduli of successive terms first decrease and then. Comparing the asymptotic series (8. The theory of asymptotic expansions claims that if the expansion is truncated at the least term.. .g. N..3) diverges for every value of x. the better the approximation obtained.000 000 06 + • • • . As a second example we consider two series expansions of the gamma function or factorial T(z) — {z — 1)!. T.g. + •••. 235. We observe in the first place that since lim n—>oo co (8. Watson [283]....2. Normally a divergent series is characterized by an ever increasing behaviour of its terms as in the case of x = 1. +0.222. We can see this as follows.22222 . + 0. and in fact increase indefinitely.. e.000 002 00 . we have ^ ' ~ = 3 + 9 ~ 2 7 + 8 1 ~ 2 4 3 + 7 2 9 ~ 2187 + " ' ' 1 ..0.e.3) can still be used to obtain almost correct values of f(x) for x sufficiently large. .001 + 0.2 Comparison of Asymptotic Series with Convergent Series 131 where Rn(x) is the remainder sum. / ( I ) = 1 — 1! + 2! — 3! H • However.29629. Thus e.4938. p.3) with the convergent series (8.22222 . for x = 3.0.376 . the series (8.0.33333 . i. .. . .. + 0. the partial sum of terms up to and including the least term yields a reasonably precise value of the function at that point with an error of the order of the first term of the remainder..5) Cf.0. in spite of this the series (8. It is evident that the larger the value of \x\.l n ( l + ^ ) n=l L ^ ' (8. we observe that the individual terms of the asymptotic series have the form of a factorial divided by the power of some parameter which is large. begin to increase again. E.1). for larger values of x. after reaching 6/27 = 0.8.0. This type of behaviour is characteristic of the terms of an asymptotic expansion as we shall see in more detail in Chapter 20. /(1000) = 1 .9876..

I. p. On the other hand Schiff" says:" We assume that these two series (for \I/ and E) are analytic for e between zero and one.5) are practically unknown. Whittaker and G. Messiah [195]. p. at a later point in his treatise Messiah admits that the expansions are mostly § Cf.41) and (16. the dominant approximation is. It seems that Schiff tries to cling to the idea that a proper series has to be analytic. Schiff [243]. Here the series on the right is an asymptotic series which is particularly useful for large values of z but is readily checked to yield very good approximations for values as small as 2 or so. **A.5). E. This is not appreciated by mathematical purists.1.5772157— Here the series on the right is an absolutely and uniformly convergent series of the analytic function. 11 L. T. Applications of Stirling's series can be found in all areas of the physical sciences (particularly in statistical problems). ip) can be represented by rapidly converging power series in e. 152. it is sensible to make the assumption. in fact. that E and \ijj) (i. meaning convergent.1 between Eqs. (16. . In many respects Messiah aims at more rigour in his arguments. although this has not been investigated except for a few simple problem^. the leading term of an asymptotic expansion. for ln(z — 1)! one can also obtain the Stirling series ln(z-l)! = ln(2vr)5 -z+ (z. 371.e. Sec. This latter observation hints already at the importance of asymptotic series in applications. p." This is a very clear statement which does not try to pretend that a perturbation expansion would have to be convergent.132 CHAPTER 8. It is inherent in the nature of an approximation in a physical problem that in deciding between dominant or primary effects and those of secondary importance.J In2. It is therefore not surprising that he** says: "7/ the perturbation eV is sufficiently small. It is interesting to observe the comments of various authors on this point. Time-Independent Perturbation Theory where 7 = 0. § However." These "rapidly converging power series" in physical contexts are most likely very rare cases. In fact. N. 236. whereas applications of the convergent series (8. Vol. 16. Merzbacher [194]. Watson [283]. ^E. Thus one can say that the vast majority of expansions of this type in physics is asymptotic and not convergent. Thus Merzbacher^ says:"Simple perturbation theory applies when these eigenvalues and eigenfunctions can be expanded in powers of e (at least in the sense of an asymptotic expansion) in the hope that for practical calculations only the first few terms of the expansions need be considered.

7) This function has been considered in detail in t h e book of Dingle. Replacing t h e exponential in Eq.. solutions of second order differential equations. Dingle [70]. 2 (8.^=e~x2 / e-^-^dt. II.10) Vn Changing t h e variable of integration to u = t2-x2. 198 (German edition)." Of these three authors t h e first. We know from books on Special Functions t h a t all of these functions.7) by its power series and integrating term by term one obtains t h e absolutely convergent series Considering for t h e time being only real and positive values of x.2. we can rewrite Eq.-= / e~t2dt. (8. (8.11) A . seems to be closest t o t h e t r u t h a n d does not attempt t o give t h e impression t h a t t h e series has t o converge. (8.1 T h e error function a n d Stokes discontinuities Another extremely instructive example which illustrates t h e n a t u r e — a n d in addition t h e origin — of asymptotic expansions is t h e error function 4>{x) denned by t h e integral <f>(x) = -7= / V71" Jo 2 fx e _ t dt. *R. (8. B.. Messiah [195]. which have been studied in great detail. Kato: "Indeed the perturbation expansion is in most cases an asymptotic expansion . (8.2 Comparison of Asymptotic Series with Convergent Series 133 asymptotic.8. He says. possess asymptotic expansions which have for a long time been important a n d accepted standard results of mathematics.ft somewhat afraid t o say so himself a n d therefore with reference t o investigations of T . p.7) as / e'* dte-* dt = 1 . 8..* and we follow some of t h e considerations given there. Merzbacher. .9) JO Jx J V 71" Jx The integral is expected to b e dominated by t h e behaviour of the exponential at t h e lower limit. It is therefore suggestive to write iy poo <t>(x) = 1 . ft Jx du = 2tdt. Vol. there is no need for such bias. In fact.

(8.i)[(_!)«' Then.13) presupposes t h a t < 1. du. (8.e.12).^ X e U ~ ( 1 + -* \ 2 . we obtain 1+ i.16) .12) VK Jo n V oo 7 n=o x) 2 2-*Qn\(-±-n)\\x2) (8. Time-Independent Perturbation Theory <P(x) = 1 . 2 9 f00 / Jo du e-" 2(u + x2)^ u <£(*) = 1 T h e binomial expansion . since (—4)! = y/n. « \~2 =E n=0 l 1 V5F(n-i)!(-l)n nlTT (M x2) / « r oo 1+ For the domain \u/x2\ <f>(x) U \-2 1 \/K n=0 2-< n! V (8.' we have 2 -nH 7T 7T (8.e.14) sin7T2. Then e (n —\)\( n\ 2du u \n Xy/n o du VK n = 0 e 2 + XypK ~"(1+ ^ °° /•oo —u (n-i)!/ n! (nn\ 2)! u du+ Jx : e u du 1 ^ ( 1 + n=0 oo /_u_ V x2 ^ ) -K ^ n=0 (8.-^e~x \Ar i.134 we obtain CHAPTER 8. Using the reflection formula (*-!)!(-*)! = for z = n + i . 7T (n-i)!sin{7r(n+^)} ( „ .15) < 1 we can insert this expansion into Eq.

In the foregoing discussion of the error function we assumed that x was real and positive.17) 0(X) = i. whereas in a convergent expansion the terms first increase in magnitude. the asymptotic expansion of the error function is. i. The expansion (8. (8.—yS!L^LL-Z e x OO / _ 1\| -X2 /-CO due-u L \ / V n = Q -1 and we write 0(X)~1 V 7 n=0 v 2^. much more useful than the convergent expansion.15) into (8.e. Whichever way we look at the result.e.l)! = / Jo Then 2 c-Hn-xdt. that a large number of terms has to be summed in order to obtain a reasonable approximation of the quantity concerned. i. (8.19) implies either that we ignore the remainder or the correction term given by the integral in Eq. /•oo T(n) = (n .e. We now want to relax this condition and allow for phases argx ^ 0. In an asymptotic expansion the first few terms successively decrease in magnitude.18) or that we insert the binomial expansion (8. It is fairly clear that the above considerations remain unaffected for |argx| < -7T. in general. We now see how the asymptotic expansion (8. convergent) only in the restricted domain u < x2. As in the case of the gamma function.8.r|<-7r. (8.19) approximates <f){x) the better the larger x is. ' |arg. (8. Frequently "=" is written instead of "~". the fact that we effectively use a binomial expansion beyond its circle of convergence implies that the resulting series is divergent so that even if the first few terms decrease in magnitude the later terms will increase eventually as a reflection of this procedure. argx = 0. We can actually understand the deeper reason for this in practice.19) originates.2 Comparison of Asymptotic Series with Convergent Series 135 We can evaluate the first integral with the help of the integral representation of the gamma function.12) ignoring the fact that the latter is valid (i. and in fact so slowly.19) where "~" means asymptotically equal to which in turn means that the right hand side of Eq. .

15). however. We can therefore rewrite the integral as (j)(iy) i 2 fy2 y —-=e / e~v 1 . we set x = iy in Eq. thus with \v/y2\ < 1.2 y V .^ = .22) we obtain 2 4>{iy) = .e.^ f V e ^ . V7T Jo Changing the variable of integration to v (8. The situation becomes critical.23) Throughout the range of integration 0 < v < y2 the integrand is real.20) where we set t = is.7) and obtain 4>(iy) = —= j e~l dt = -= / es2ds. =dv. and we can write (j>(iy): y^ Jo t^Q n] \y J If we want to proceed with the evaluation of the integral in order to arrive at an expansion of (f>{iy).24) We can read off the binomial expansion of the factor in the integrand from Eq. (8. we can try to proceed with Eq. (8.21) = y2-s2. (8. Time-Independent Perturbation Theory since for this range of phases the decreasing nature of the exponential is maintained. (8. i. Proceeding along lines similar to those above we write <f>{iy) = ^=ey2 I* e^-^ds. dv = -2sds = .136 CHAPTER 8. (8. (8.vds. We therefore consider this case in detail.26) or else return . VK Jo V^ Jo (8. when |argx| = 7r/2.

26) we can write* 137 v* Jv2 ie « „2 OO / 1 n=0 M ~k n! . — (8. . y y 2 -( n _i)! y arg(* = iy) = i * . and so the integral is real. If we proceed with Eq. (8. i. the better the approximation expressed by Eq. Eq. ey is much larger than something of order 1/y.28) ignores the integral contribution of Eq. and the larger y.2 yir (8.8. Suppose now we consider Eq.27) Then . For v > y2 the second integral is seen to be f imaginary and thus drops out in taking the real part. (8. we obtain 4>(iy) = -^ey2TZ f°° e~v (1 . However.28) n=0 We observe that this expansion differs significantly from (8. (8. We have therefore <j>(iy) = -^e^TL fV e~v ( l . i (8.^] * dv. „2 \v J v^(n-i)! y(n-j)l ^—-' y2n ie"2 /-00 ^ ieir /•" W7r /„2 y ^—' _v^{n-\)\(v n! . for | arg x\ < 7r/2 and for arg x = -IT/2 the error function 4>(x) possesses different asymptotic expansions.2 Comparison of Asymptotic Series with Convergent Series to Eq.27) and (8.17): J£° e~vvndv = n\.28) we observe that the expansion (8.e. which will be studied in more detail below. (8.^ ^ p .24).29) where 5t means "real parf. for large values of y.24). We know that for v < y2 the integrand is real.19). (8.^ ) * dv JO V y /»00 /»' yV^ 1 i Vsfv 2 ey n oo J0 Jy' 1%) 'dv. e ^ ( i y ) ^ ^ .27). (8.30) yvn f Jo V y J Cf. Returning to Eqs. (8.28) because then the correction term oc f°£ becomes smaller and smaller.e. These integral contributions are of order 1/y since the integral behaves like e~y and is multiplied by a factor e+y in front. (8.. i.

| y. Dingle [70]. For the sake of completeness of the above example we continue the phase to | arg x\ > IT/2.e.e. Chapter 1." — E ^ ^ for|arg. This result is identical with that obtained previously. e xZ ^ (n — £)! „ ^ ) . Eq. (8. With a similar type of reasoning one can show that the same expansion. . Looking at Eqs.2 OO rz=0 V .26).25) and integrate from 0 to oo.8)) 4>(x) = -<f>(-x) we see that _x2 OO / ] \ | n=0 for 7r/2 < I arg x\ < 3TT/2.31). B. and • higher order terms of the associated series all have the same sign. (8. (8. We have therefore found that XTT n=0 ^ ' and .33) we see that the Stokes discontinuities occur at those phases for which these expansions (i. (8. i.31) and (8.3!) which is (8. *Cf. 7r = -. The corresponding phase lines are called Stokes rays.33)) would have • a maximally increasing exponential e+x . R.33) The sudden disappearance of "1" at |argx| = 7r/2 hints at something like a discontinuity of (j>{x) at arg x = n/2 which was discovered by Stokes and is therefore known as a Stokes discontinuity.* We observe that this Stokes discontinuity is a property of the asymptotic expansion but not of the function itself. Since (cf. (8.30) can be written </>(iy) = -^ey2 fV e-v(l-^) yVn Jo V y J "dv = ^!rV"E^(4)V (8. Time-Independent Perturbation Theory If we insert here the expansion (8. . (8. we use the expansion outside its circle of convergence and hence obtain a divergent expansion. is obtained for <f>(x) with arg x = —ir/2. since (8.28)..138 CHAPTER 8.

See also Tables of Special Functions.37) Cf.35) 8. 91. though.e. Magnus and F. apply predominantly to asymptotic series of the solutions of second order differential equations. Thus if we set x = XR + ixj. 9 . we have e -z2/2 _ 2 e-(x R-xj+2ixRxI)/2_ The exponential is maximally increasing for XR = 0. Later we shall make extensive use of parabolic cylinder functions Du(x) which are solutions of the equation dx2 + v+ :X y =o .8. We also observe that the expansion for | arg x\ = ir/2 is half the sum of the expansions on either side of the Stokes ray. (8.2 Comparison of Asymptotic Series with Convergent Series 139 It should be observed that the phase of the Stokes ray is the phase at which an exponential is not just increasing but maximally increasing.e. . Chapter 1. Oberhettinger [181]. and so may not be universally applicable. '"Cf. which can be written (for v not restricted to integral values) D^(x) DM(x) f xu(f>u(x).36) which is of the type of a Schrodinger equation for an harmonic oscillator potential* In view of the considerable importance of the harmonic oscillator and the associated parabolic cylinder functions in later chapters we consider this case now in more detail. —1 cancel out. Dingle [70]. i.36) has an exponentially decreasing solution and an exponentially increasing solution for zero phase of x.34) the contributions 1.2). for arg x = 7r/2.2 Stokes discontinuities of oscillator functions Dingle' has formulated rules which permit one to continue an asymptotic series across a Stokes discontinuity without the necessity of a separate calculation of the asymptotic series in the new domain.2. B. p. R. Equation (8. -1/-1 ipv{x) -v-1 -v-l (±ix). and 4>(x) argx=7r/2 = 2 r2 ^ + <f>(x) a.rgx<n/2 argx>7r/2 _ X1T •<—' v — ( n=0 £ (n-i)! X2)n ' oo (8.g. pp. (6. These rules.32) and (8. i. W. 5. e. Eq. in the sum of the right hand sides of Eqs.13.

i.38) are of the type (2i)! i\ i\(-2x Y 2 (-2x2Y and so have the form of a factorial divided by a power which (as discussed previously) is the behaviour typical of asymptotic series. (8-38) We observe that one solution follows from the other by making the replacements^ x — ±ix. Chapter 17.e. Time-Independent Perturbation Theory i. v — — f — 1. Hence Dil){x) = xv(j>v(x).ei<v+Vx-v-Hv{x\ argx = £ . We consider Dv (x). D^(x) = = xv4>v{x)Jr\^l'1^'Kl'1\A~v~X^^) xv4>v{x) + \a.7. 8.x 2 oo «*) - — E^fi=0 v . The continuation of (8. 1 1 Cf. Chapters I (in particular p. (14). 0 < argz < | (8. Eq. Dingle [70].39) onto the Stokes ray and from there into the neighbouring domain is determined by the following rules which will not be established here:" • Dingle's rule (1): On reaching arg a. > > The equation (8.39) (as in the example of the error function). the series of D ^ x ) develops an additive contribution (the discontinuity) which is IT/2 out of phase with xu4>v{x) and proportional to the associated function. Dingle [70].38)) has a Stokes ray at Dl '(X) the arg x = 7r/2. i. Thus D{J-\x) (i. B.e. = 7r/2. We also observe that the late (large i) terms of the series in (8. Chapter 1.e. 9) and XXI. B. (8.40) § Cf. At arg x = 7r/2 the exponential factor becomes an increasing exponential and late terms of the series have the same sign. x~l/~1ipu(x). ti asymptotic series (8. ' S u c h symmetries are extensively exploited in the perturbation method of Sec.37). .36) is invariant under these replacements. (8. as can most easily be seen in the case of the Mathieu potential. R. with a real proportionality factor. R.140 where^ CHAPTER 8.

42) T ^(eiwu i. = ir. < 37r/2. We therefore proceed to continue (8. Thus for arg x > ir/2 we have D$\x) = xp(t>u{x) + = 2]iaei<v+^x-1/-l^v{x) ^ < arga. (8. another half of the discontinuity appears on leaving the Stokes ray on the other side. we must have at arg x = 7 in the dominant factor on the right of Eq. Since Dv (x) is real when x is real. for xj = 0) and therefore possesses a Stokes discontinuity there. with \x\ = (—x) for arg a.44) + ^iap) = 0 .e. beyond arg x — 7r/2. In (8.2 Comparison of Asymptotic Series with Convergent Series 141 for argz = 7r/2.e. (8. (8. = ir.40).42) el™ + ±iafi\ {-x)v<t>v{x) + a{-x)-v-l^u{x). sm(iri/) = —a/3/2 or a/? = -2sm(irv).41) the Stokes multiplier a is. (8. i. the extra phase factor u ei7r/2 a n c j t n e p h a s e ew7r/2 0 f x <j>u(x) (so that as the rule requires the added contribution is 7r/2 out of phase with the first).8. e +fx2 _ 2 2 e±(x R-x I+2ixRxI) is maximally exponentially increasing (i. i.e. On reaching ir the part containing ^ ( x ) .41) xuct)v{x) + a{-x)~u~lipu{x).e. < 7T. is given by • Dingle's rule (2): One half of the discontinuity appears on reaching the Stokes ray. Applying Dingle's rule (1) (to the Stokes discontinuity of ^v{x)) we obtain on the ray D<P(x) = x^M^ + aU-xy^M^ + l^e^e^lxrMx)] (8. The value of Du (x) on the other side of the Stokes ray. Applying rule (2) we obtain D$\x) = U™ + ^iap) (-xyMx) + a{-x)-v-lMx) (8-43) for IT < arg a. as yet an unknown real constant. It is determined by continuing the asymptotic series to argx = n and demanding that the result be real since Do (x) is real when x is real. where in the first line on the right hand side the second term contains the real proportionality constant a/2.41) to arg a.

1). argx = vr.1) (8.14). Time-Independent Perturbation Theory Now a and (3 can still be functions of v.e.42) that a multiplies ipv(x).1) (8. i.e.45) is therefore given by a{v)a(-v .45) Thus the right hand side of this equation remains unchanged if v is replaced by —v — 1. (8. .47) Equation (8.e. (8. i.42) we insert from Eq. a(u)P(v) = -2sin(7r^) = -2sin7r(-i/ . (z)\(-z-iy.v . We can see that the equation is satisfied by (3{u) = ±a(-u .e.l)0(-v .50a ) (aMb) »W = f "M=(=^)i In order to decide which case is relevant we observe from Eq. or sin-7r(2: + 1) sin irz' W ( = 7 ^ ) ! = -2sil"r2Comparing this with Eq. a{y)P{y) = a(-u .45) that af3 = -2sin(7r^)) D^\x) = (8.48) we can set <8 49) ' ^ ) = {_V\)V PM = ^f> or ( 8 . i.142 CHAPTER 8.1)! TT.48) We compare this with the reflection formula (8. (3{-v .1) = -2sin7ri/. i.1) = ±a(y). (8. Hence the left hand side must have the same property.42)) for argx = ir (in the second line of Eq. Eq. (8. 8.—^ ON • — ^ > + ^ ^ L .46) For a given function a(y) this equation determines /3(u). (8. (8.51) . Dl \X) is (cf.38) = cos7ru(-x)u(f)1/(x) + (—x)ve~*x COS7T^— —r- a(u)(-x)-l'-1^u(x) (2i . V i=0 \U0 v 2w . (8.

2. (8.35)..1 ) ! 4~L i\{-2x2Y i=0 V2^(-x).e.2^1 v y 7T i=0 ' (2i + v)\ z!(2x ) v (8. (2i-n-l)! (-n-1)! n! {n-2i)\ So far we have been considering the asymptotic series expansion of Di. ' (X) (cf.. However. —-f-.50a) because this enables us to define normalizable parabolic cylinder functions.53) the factor (—n — 1)! is to be understood in association with (2i — n — 1)! in the numerator. i. u 1 y> {2i + v)\ 1 n 0. Chapter I.A / ± sin^C-x)-"-M* 2 V ^ . We observe that for v — n = 0.)(-.8.e. For details we refer again to the book of Dingle. the error .36). It should be noted that in Eq.3 Derivation of Asymptotic Series from Differential Equations 143 We choose (8.„ _ix2^(2i-v-l)l e 2 > —. (8. i. 8. In a similar way we can examine Dv (x) and its Stokes discontinuities (at argx = 0.e^ . i. (8. Eq.36)) in the domain 0 < arg x < IT. (-2x2)1 = COSTTU(-X) v . Then (in the second step using (—u — l)\v\ = — ir/sm(Trv)) DW(x) ~ c o s ^ ^ * f ^ .e.7). Proceeding along similar lines we can continue the expansion into the domain (2) ir < arg x < 2ir.. (8. solutions of Eq. the second contribution vanishes and we obtain £>«(*) ..3 Asymptotic Series from Differential Equations In the case of the error function we obtained the asymptotic expansion from the integral representation of the function. (8.1 ) ( . which vanish at x = ±oo..52) (argx = 7r).53) We have therefore obtained in a natural way the quantization of the harmonic oscillator. ' ^ (-i/-l)!z! ^ .1..7r).*"e-i°> f ( ^ _ | _ L _ = (-!)««(.I / .) (8.

e. and demonstrate. Solving these equations we obtain = = 0. x—>±oo (8. i.36)) 0 where + x2Q(x)y = 0. 0.56) ~l^(8 57) Q{x) = - We then set y = es^ so that the equation becomes (8. we obtain equations from which the coefficients So.36) in the form (coefficient of — x2 here chosen to be ~. (8.38) can be obtained. Time-Independent Perturbation Theory function can also be obtained as the solution of a second order differential equation. S2..60) 2 x x l Inserting (8.54) (8.36). Eq. i. % = {. cf. previously we had ^. -\ + U (8.. ^ = 0 dxA dx with the boundary conditions lim 4>(x) = ± 1 .54) we consider again the important equation of the harmonic oscillator.e. Instead of dealing with Eq (8.60) into (8. (8. Thus 2S 0 Si 5o + 25 0 5 2 + ^ + ^ and so on. x.58) Since x2 is the highest power of x appearing in x2Q(x) we set S(x) = ]-S0x2 + SlX + S2 In a. Eq.37).144 CHAPTER 8. (8.59) and equating to zero the coefficients of powers of x2.^ + 1 ) . x°. + — + ^ + • • • . ^ + 2 . We write Eq. 5„=4 Sl=o. S\. (8. how series of the type (8.. • • • can be determined. (8.55) The large x asymptotic expansion can also be obtained from the differential equation.

38) in a variable for the solutions of approximated differential equations.8. Oberhettinger [181].19). T h e parabolic cylinder function normally written Dv(x) is frequently defined via the Whittaker function WK^{x) which is a solution of Whittaker's equation d2W dx2 Thus* Du(x) = 24 + 1 K 1 + T+ . . Magnus and F. i. etc. and it is clear t h a t higher order terms follow accordingly.91. T h e expansions (8. » 1.37). Nonetheless we shall need asymptotic expansions like (8.61) (the dominant terms of (8.63) **W. (8. The derivation of the asymptotic series from integral representations (cf. In the following we are mostly concerned with asymptotic series in some parameter. therefore. function. We. 2 X -2Wi. n 22e"T JziL (8. do not enter here into their derivation and simply quote the result: W i t h \x\ . / i N -. a z a a ( + 1) z2 which has the unit circle as its circle of convergence. In particular we shall need the asymptotic expansions of parabolic cylinder functions in various domains.b.62) 4 \ 2 XiFi 2'2 . p. \x\ ^> \v\ and (a) for | a r g x | < D„{x) 3/4TT: e 4 x x i/(i/-l) 2x2 | v(y-\){V-2){y-S) 2Ax2 | . Whittaker and Watson [283]) is now somewhat elaborate (although in principle the same as before).35) and (8.e. 2 ) + V2(-|-l)! l-t1! 2 1 — v 3x\ 1 2 2' 2 where iF\(a.38).+ X M W = Q. (8.36) have correspondingly e±x / 2 ) . are asymptotic series in a variable x.3 Derivation Then of Asymptotic Series from Differential Equations 145 eS(x) = 2 e±^ xS2 1+ 0 (8.37) with (8. 4~l~2 ' i i _i.z) is a confluent hypergeometric T-.

4x2 (8. If Sn(x) is the sum of the first n + 1 terms of the divergent series expansion . N.64) (c) for —7r/4 > a r g £ > —57r/4: Dv{x) e 4x !-*£=£2 2x -i/-i + +• (-I/-1)! + xe 4 x (i/+ !)(„ + 2 ) 2x 2 " ' (8. 4 (8.4 Formal Definition of Asymptotic Expansions Finally we introduce the formal definition of an asymptotic expansion. Watson [283].66) 7 =e|(^) 2 -i(3x)2ei(^)(?Jx) decreases exponentially. Whittaker and G.4x 2 27F (-*/-!)! | e^e^x-""1 1 + (v + l)(i/ + 2) 2x 2 | (i/ + !)(»/ + 2)(i/ + 3)(»/ + 4) 2. T. top of p. then the series is said to be an asymptotic expansion of f(x) in t h a t range if for a fixed value of n lim \x\—>oo ft xn\f(x)-Sn{x)\=0 3.65) We observe t h a t the series of (a) and validity 1 1 -7r < a r g x < 4 In this domain 'Qx > |9ffcr| and so e (b) have the common domain of 3 3 -7r.146 CHAPTER 8. E. Time-Independent Perturbation Theory (b) for 5/47T > arga? > n/4: Dv{x) ~ e 4 v x v{y-\) 2x 2 V{y-\){y-1){y-S) 2. 8.1 a2 an a0 + — + ^ + --.0. Thus the series expansion (a) in this case is multiplied by an increasing exponential and the asymptotic equality " ~ " means an exponentially decreasing contribution has been ignored. .+ — + ••• of a function f(x) for a given range of a r g x .67) Cf. Thus there is no contradiction^ between (a) and (b). whereas e~x '4 increases exponentially. 349.

lim xne-W |x|—>oo = 0 (8.e.69) and the consequent nonunique definition of the expansion. A critical discussion of the definition can be found in the book by Dingle [70]. It may be noted that Whittaker and Watson's internationally aclaimed text on "Modern Analysis".73) Vn + q/#> + e2T/i2) + • • • . Chapter I.72) For the eigenvalue E near En and the eigenfunction \l/ near ipn we assume power expansions in terms of the parameter e. (8. the divergent nature of asymptotic expansions together with a vagueness of definition (which is avoidable as explained by Dingle) frequently tempt mathematically prejudiced purists to turn away from asymptotic expansions.8. thereby (unknowingly) discarding the vast majority of expansions which have been used in applications to physics.g. The equation to be solved is the equation H<S> = EI/J with H = H0 + eV. which is assumed to be small.68) The definition(8.5 Rayleigh-Schrodinger Perturbation Theory Rayleigh-Schrodinger perturbation theory is the usual perturbation theory which one can describe as textbook perturbation theory as distinguished from other less common methods. in particular with regard to possible exponentially small contributions to the expansion for which e. 8. The definition is due to Poincare (1866). (8. first published in 1902.5 Rayleigh-Schrodinger Perturbation although Theory 147 lim \xn [f(x) . we set E^En * -> ^ n = En°1+eEnV = + e2EnV + ---. i. In fact.Sn{x)) | = oo n—>oo (8. possesses a whole chapter on asymptotic expansions.68) is (effectively) simply a statement of the observations made at the beginning.70) It is assumed that the spectrum {En are known with and the orthonormality Smn = (lpm\lpn) = } and the eigenfunctions {ipn} of HQ W n = 4°Vn (8-71) / dx%l)*m(x)lpn(x). (8. .

we write in the position space representation ^ ^ E ^ - (8-78) A contribution to ipn can be combined with the unperturbed part of the wave function \P.76) The first equation is that of the unperturbed problem. i.n = 40)V>n. We insert the ansatz (8. as are also the states Wn )j Wn )i — We therefore write these vectors as superpositions of the basis vectors provided by the unperturbed problem.w » .72) we obtain oo roo dxifc{H0 -OO / ~4 0 ) ) E • / °i ^ = / J— OO d x < i E n ] ~ V )^n. J f°° dxrn E(^ 0) . Ho^+V^n = EW^+E^n. (8.75) HoW + vW = E^+E^+E^.i4 0) )V4 1} = {EM . i. (8-79) We multiply this equation from the left by ip^ and integrate over x. ^ ) = 0. (8. -°° i J or 0 = EW-Jdx{rnVil>n).e. With the help of the orthonormality condition (8.148 CHAPTER 8. We obtain then the following set of equations: Hrj. i.As a consequence the state |vl/) is a vector in this space.e. (8.V)i. (8. so that we choose / • dxrpM^O. ( ^ . Time-Independent Perturbation Theory We insert these expansions into Eq.e.77) and obtain {Ho ~ 4 0 ) ) E "i^i = (Ein] ~ W n .70) and equate on both sides the coefficients of the same powers of e.74) (8. The second equation can be rewritten as {Ho . (8.78) into Eq.n. .4 0 ) M = / ^C(4 1} .77) The states \tpn) of the unperturbed problem span the Hilbert space"K.

83) makes sense only if Ef] ^ EnV for all i + n.Viprt e (8. the procedure forbids degeneracy and we can consider here only nondegenerate eigenstates. (8.76) which we rewrite as (H0 . (8.e.e. We multiply the equation by ipm. we return to Eq. with En . (il)i. i. S ' ti^+Q^)• We observe that Eq.a\^(E:S0) „• -4 0 ) )^ = / J—oo dxrl?m(E$-V)1>n. the coefficients a\ .Vil>n)- (8-80) In order to obtain ipn .V)^ Setting + 42tyn. ^ n ) + 0(e 2 ).84) (8-85) ^2) = £ a S 2 ) ^ (excluding i = n for reasons discussed above). multplying Eq.5 Rayleigh-Schrodinger Perturbation and so Theory 149 E& = {n\V\n) = Wn. (8.4 0 ) M 2 ) = ( 4 1 } . (8.79). We therefore consider Eq.m ^ n and integrate: oo /•oo / -oo dxrmY. and hence It follows that to the first order in the parameter e: En = 4 ° ) + e ( ^ .8. (8-83) Thus the procedure forbids the equality of any E\ '. It is clear that we can proceed similarly in the calculation of the higher order contributions to the expansions of En and \I/n. (8.i ^ 0.^(EW ~ V ) ^ + E& / J—oo dx^miln- .84) from the left by ip^ and integrating over the entire domain of x we obtain coo J —( oo />oo / -oo dxi.82) *> = ^ + E . i. In order to appreciate the structure of these expansions it is instructive to go one step further and to derive the next order contribution.

V^n) . Inserting the expression (8.Vlpn) E^ .86) E^ iy^n J-Jn J J -i ' i^n For m ^ n w e obtain from Eq.B i 0 ) ) ( £ f .4 0) ^+ e 2 E (lpk.90) + £ ( 4 0) -4 0) )(4 0) -^ 0) ) ^ +' .(1) (i&0) . FVn) + e 2 ^ ( V > n .79) •/—oo oo / Using (8.88) (Q) Inserting Eq.81) we obtain (2) _ _ {lt>m.86) into the expression for En we obtain En = 4 ° ) + e ( ^ n .Vlpn] M _ P (0K 2 ^r .87) (i>k.85) together with (8.^j)(V .Vlpn)(lpn.^(8. (8.VV .^ ) + $& w £ (^fc. ~Ej E- E.89) • • • where we guessed the term of 0(e 3 ). ipn ) = 0 i. V ^ i ) X (Q) (Vi.V4>n){lpn.V^j)(^j.150 CHAPTER 8. (8.^w . En0) (8.£i°») 2 Hence +^£o (£«? .e.Vlpn)E.2 (V> m . Time-Independent Perturbation Theory Setting m = n we obtain with (^„. n) -£f) (8. ^ n ) j&iift + ^n .88) into xjjT we obtain similarly * r i + f ^ i^n (lpi. j.V'>pTl (E^-Eny V'fc (8. (8.

7 is based on this procedure. in the form i Adopting this procedure for the perturbing potential V(x) we can set V(x)i. i. We then obtain (lpk.lpn+i) = ^ Cj5k. 8.n+i = Ck-n(2) We can now rewrite ipn ' as / (2) _ V"^ c ^ n k-nc0 ~ 2-j ~ TJfi)0 ) k^n (4 -^) 2 n(0).91) The coefficients Cj follow from the recurrence relations.g.8.89). sometimes expressed in terms of projection operators which one can construct from the states \ipm) (see e.e. One would prefer to lump it together with the other contribution.. These recurrence relations allow one to re-express expressions like Xm^n as linear contributions of ipi with constant coefficients. (8.90) can be found in just about any book on quantum mechanics.(0 4>k- The sum J2j^n includes a term with j = k which is exactly cancelled by the other contribution.n(x) = J2crtn+ii (8.-. The functions ipn(x) are eigenfunctions of some second-order differential equation. .90) is the term with only one summation J2 m the contribution of 0(e 2 ). Merzbacher[194]).Vlpn) = y^Ci(lPk. We can therefore rewrite tpn ': The perturbation theory described in Sec. An ugly feature of the expansion (8.5 Rayleigh-Schrodinger Perturbation Theory 151 The expressions (8. These functions generally obey one or more recurrence relations which are effectively equivalent to the differential equation in the sense of difference equations. + l^t /„(0) V~^ c k-jCj-n &(Efi»-Ei )(Ef-E&»)\ 0) „(0)w.

93b) The lowest order eigenfunctions belonging to En.97a) and (8.4 0 ) ) ^ } = (Em] . Equality of eigenvalues. m = I.6 Degenerate Perturbation Theory It is clear from the expressions obtained above for En and tyn that no two eigenvalues En '.e. (8. degeneracy.93a) (8.97b) with ipn y£ ipm. (8. i. —I. i. (H0 + eV)^n and (HQ + eV)Vm = Emym.94a) * m = c 2 i ^ n + c22tpm + e ^ + e ^ + ••• (8. Proceeding as before we obtain Ho(cniln + Ci21pm) = En0) (cU1pn + C121pm) = EnVn. I — 1 . Time-Independent Perturbation Theory 8. in a central force problem all have the same energy unless the system is placed in a magnetic field. Em = 4 ° ) +eE$ + e2E$ + .94a) into Eq. . . (8.95b) H0(c2l^n and + c22ipm) = En°\c21^n + c22^m) (8. (8. (8.We now insert Eqs.94a).96) are effectively the known equations of ipnitpm and so yield no new information. (8.93a). Equations (8.e.V)(c2l^n + ci 2 ^ TO ).e. In order to deal with the problem of degeneracy we consider the simplest case. For example the magnetic states enumerated by the magnetic quantum number m.Hence we write * n = CllV'n + CisV'm + € ^ + d 2 ^ 2 +••• .. however. that of double degeneracy En = Em .ipm) = 0 = (^m.152 CHAPTER 8.95a) (8. Em can now be linear combinations of ipni'ipm.97b) are . (8. . .93b).ipn).96) (Ho .97a) (8. is not uncommon. so that En = 4 ° ) + eE™ + e2EP + ••• .70). Equations (8. are allowed to be equal since otherwise the expansion becomes undefined. + c22^m).4 0) )</4 1} = (En1] ~ V)(cu^n (Ho . i. (8.. (8. all n.94b) with (ipn. .

(8.cnVipn and -tyi.H0xl>$) . H0lP$) = C22[E$ ~ (Vm. H0lpV) . Equations (8. Vl/. But (8.99) can now be rewritten as (frvvA \1"'Vr\ )(cn)=w(cn) (s-iooa) . ^ ) = ( V . c2iV^n + c22V7pm).(Vn.ipn n) = 0 = (ipm.ipm ) the equations (iPn.£ < « = ag)^) . £ aW^°Vi) .99) and ( ^ ^ O ^ ) " ^ ^ .H0il>W) = cn[EW . ^ ) ) = CU[EW .8. and ( ^ m . Similarly Wn.ci 2 (V„. we obtain with (ipn.6 Degenerate Perturbation Theory 153 inhomogeneous equations.m). (^m. Vi/>n)] ./>£>) = C2l[E£> . . V^n). Wm. V^n)\ .J#»a&> = 0j since ii4i = En (degeneracy). ^ o ^ ) ) = 0.Vil>m)] V^m).y>m.^ ( ^ .^ ) ( ^ m . t f ) = a k 1 } 4 0 ) " Eg>aU = 0. cn(ipm. Vlf>m)] .(^0-4°))41)) = EM^CuTpn -(ipl.(lPn.m.98a) Setting I = n. Then (^. (^n.EJ®(lPn. We now multiply these equations from the left by ip* and integrate.V^n).H0^) .98b) + Culpm) + cuV^m).C 21 (^ m .C22(Vn. (8.

.1.e. Time-Independent Perturbation Theory (l/>m.6.e. 4. If one wants to perform a perturbation calculation in such a case. Example 8. .E™ (Vn.Vrl>n) . i. In this particular case therefore non-degenerate perturbation theory can be used (cf. as we saw.e.Similarly Eqs. d>" -E=^-.^ ' V = — (•>!>'<t>-<t>'i>). in particular in parabolic coordinates (see Sec. if)' (/>' — = —. the degenerate perturbation theory must be used.1: Do discrete spectra permit degeneracy? Show that in the case of a one-dimensioanl Schrodinger equation with discrete point spectrum there is no degeneracy. splits the problem into two independent one-dimensional systems.100a) determine the coefficients Cn.154 and V (^m.101) This secular equation determines the first order correction En • The equations (8. just as there is no degeneracy in the case of the one-dimensional harmonic oscillator (Chapter 6).. However. like that providing the Stark effect (proportional to rcosO). Let ip and < be two eigenfunctions belonging to the same eigenvalue E. Solution: We consider the Schrodinger equation with potential V in the simplified form -i>" + (V . i. At x = ±00 the constant is zero.Vlpn) CHAPTER 8. dx i. i> 4> Hence there is no degeneracy. It is then possible that a special perturbation.5). Example 11.3). (V>V-</>V>) = const.Vl/>m) J \ C22 J m \ C22 J V ' These matrix equations have nontrivial solutions if and only if (lf>n. Nonetheless we shall see that the Schrodinger equation of the hydrogen-like problem can also be separated in some other orthogonal coordinates. 9} ip. ip = c<p.100b) determine C2i. A one-dimensional system.^Vm) 0. \nip = ln(j> + c o n s t . An example which emphasizes the significance of the spatial dimensionality in this context is treated in Example 8. cannot be degenerate because there is only one quantum number corresponding to one definite energy and hence cannot be degenerate.This completes the derivation of the first order perturbation corrections if an unperturbed eigenvalue is doubly degenerate. (8.ci2. It follows that ip and <j> are linearly dependent. (8. the secular determinant. there is degeneracy in the case of the hydrogen atom with Coulomb potential (Chapter 11) which is based on three-dimensional spherical polar coordinates r. 11.C22. Then / > i>" 2— = V ip Hence 0 = V ' V .E)tp = 0.

the method has to be applied in each domain separately. Thus the method is a systematic method of matched asymptotic expansions. in particular in applications to periodic potentials. It is immaterial here whether D does or does not contain a first order derivative — in fact.106) (8.102) where D is a second order differential operator and E a parameter.104) "This method was developed in R. i. also possible in areas not of immediate relevance here.7 Dingle-Muller Perturbation Method 155 8. with some restrictions on the function V.V0)<f> = 0 (8. B. J. and such that one can even obtain a recurrence relation for the coefficients of the expansion.t Since in general a solution is valid only in a limited region of the variable.104) are chosen such that the equation Dcf) + (E0 .* In various versions this method is used throughout this book.7 Dingle-Muller Perturbation Method We have seen above that although the procedure of calculating higher order contributions of perturbation expansions is in principle straightforward. (8. Applications of the method are. Eq. We assume that V can be expressed as the sum of two terms. cf. W.V0)<t> = (v.e. .e)<t>. one quickly arrives at clumsy expressions which do not reveal much about the general structure of a higher order perturbation term. W. We consider an equation of the form Dcj) + (E . a potential. V = V0 + v.8. anharmonic oscillator potentials and screened Coulomb potentials. Muller [216]. and the solutions then have to be matched in their regions of overlap. It is therefore natural to inquire about a procedure which permits one to generate successive orders of a perturbation expansion in a systematic way. Muller [210]. J. In the following we describe such a procedure as first applied to the strong coupling case of the cosine potential or Mathieu equation. the considerations given below would be valid even if D contained only the derivative of the first order. Muller [73].V)(p = 0.105) (8. J. Dingle and H. B. (8. H.102) can be written D<f> + (EQ . T For instance spheroidal functions can be studied with this method. (8. Dingle [72] and H. (8. W.103). See also R.103) such that if E is written correspondingly E = E0 + e. The subdivisions (8. of course.

Vo)(j)m+s = (Em . and so v (8. Consider (D + Em= (D + E m V0)(4>W + ^(1)) = (D + Em .+s ' (8.V0)4>m = 0.m + . We write the coefficients "(m. s an integer: (v-e)(pm = 'Y^{fn.108) with coefficients (m. Considering (frm+s we have.m + s)" in order to relate them to "steps" from m to m + s.156 CHAPTER 8.111) s then (see below) 0(1| = E (m.m + s)4>m+s s (8.e\ < \V0 .109) D(j)m+s + (Em . m + s)0m+s. Then if ]e| < \E\ and \v .107) represents a first approximation to the solution (f> of Eq. since D<f>m + (Em .V0)<f>m+a = 0. The next step is to use the recursion formulae of the functions 4>m in order to re-express (v — e)4>m as a linear combination of functions <fim+s. the function 4>(0) = <t>m (8.113) . the equation Dcf>m+S + (Em+S . v = {D+Em-Vo)<t>m. (8.E0\ (the latter in a restricted domain).110) If we write the next contribution <f>W to <p(°> in the form m+st (8.V0)<f>^ . Time-Independent Perturbation Theory is exactly solvable and has the eigenvalues Em and eigenfunctions (f>m.102) with E ~ Em. where m is an additional integral or near-integral parameter (depending on boundary conditions).VQ) ^ s c s4>m+s = 22 s C s(Em ~ Em+s)<fim+s = ( u .) This result is obtained as follows.Em+s)(/)m+s. (8.e ) ^ = 2 ( m . m + s) which are determined by the recursion formulae.

. .m) — —.Em+S) = 0 (second approximation). .m + s) 157 (B-\-IA\ s^O: 1 cs = J m _ ^m+s .m) + > ^ .117) „ . We then find altogether ^ | l-^m - Em+S) + y^y^ SJ.m)4>m in (8. (8.m + s)(m + s. The factors (Em — Em+S) in the denominators result from the right hand side of Eq.110) and are therefore related to the inverse of a . the coefficient of the term (m.^ (Em .m) 1^1^ IW .m + s)(m + s.119) follow a definite pattern and can therefore be constructed in a systematic way.TP \(T? .115) Repeating this procedure with cf)^-1' instead of 4>^ we obtain the next contribution 0(2) =YY together with (m. /01_.116) m ^ v (m..114) To insure that 0 = ^(°) + f^ ) H is a solution of Eq.m + s)(m + s.8.Q (m.m + s)(m + s. (8.102) to order (1) of the perturbation (v — e). (8.7 Dingle-Miiller Perturbation Method and so (m.m) — 0 (first approximation). V ^ V ^ {rn. . (8. and the second expansion is an equation from which e and hence the eigenvalue E is determined (i.e. (8.113) must vanish. . (8. Eq.m + r) m ^ (8 118) r^O ' ~~ Em+s)\Em ~ Em+r) together with n _ / x y^(m.m + r)(rn + r. We observe that the coeffcients of expansions (8. Thus (m.m) E J^ ( m ~ Em+S) ' • fa.119) is effectively the secular equation).„N This procedure can be repeated indefinitely.T? S The first expansion determines the solution 4> (apart from an overall normalization constant).n\ ^-119) + . (8.118). £ ^ T^o (^m ~ Em+s){Em — Em+r) ( m ' m + s ) ( m + g ' m + r ) $m+r (8.

(8. 2 k2 + g2 = ga(2l + q)-^[3(q2 „3 + l) + 4(3q~l)l + 8l2] 3-2ag r . W. The systematics of the coefficients suggests that one can construct the coefficients of an arbitrary order of this perturbation theory. (8.6q + 1)1 + 24(5? . A further conspicuous difference between this method and the usual Rayleigh-Schrodinger perturbation method is that the first approximation of the expansion. An additional aspect of the method is the full exploitation of the symmetries of the differential equation. in which q = in + 3.423) + Z(2720 9 3 . An explicit application of the method (not including matching) seems suitable at this point. § H. The following Example 8. . J. and is typical of a large number of cases.38). as will be seen in later chapters.9) + 4096J4] + 0 ( l / g 3 ) . The result is the following expansion. for the investigation of the behaviour of the late terms of the perturbation series. Miiller [211]. Kaushal [146]. S. 1 . does not occur in any of the later contributions. has been treated by R.2 therefore illustrates the use of this perturbation method in the derivation of the eigenvalues of the Gauss potential.158 CHAPTER 8. for instance. this is — so to speak — the price paid for obtaining a clear systematics which is essential. i. The eigenvalue expansion obtained is an asymptotic expansion.120) n4 . .[ 4 ( 8 5 g 4 + 2q2 . . . as will be seen later. and when the solution is multiplied by this factor one obtains the contributions involving </>m in the higher order terms (for an explicit demonstration of normalization see Example 17. Time-Independent Perturbation Theory Green's function. for instance. n = 0 . i. Other applications can be found in the literature. as already mentioned after Eq.1)( 2 + 64J3] — . (f>m in the above.* Example 8.7 1 9 2 + 32g + 2976) 3•215g2 +32Z 2 (252g 2 .2: Eigenenergies of the Gauss Potential^ Use the above perturbation theory for the calculation of the eigenvalues E = fc2 of the radial Schrodinger equation dr2 + k2 1(1 + 1) V(r) ip(r) = 0 with Gauss potential V(r) = -g2e~a r for large values of g2. since it will be used extensively in later chapters.e.[q(llq2 + 1) + 2(33g 2 . 2 .e. ^The potential A r 2 / ( 1 + gr2). This can in fact be done and will be dealt with later. One should note that in this perturbation theory every order in the perturbation parameter also contains contributions of higher orders. Imposing normalization later one obtains the normalization constant as an asymptotic expansion. This means the solution is not normalized.I2q + 64) + 256Z 3 (41 g .2).

. Therefore in the general case we may set k2 + g2 = ga(2l + q) .^z2) = i>(a) leaves unaccounted for on the right hand side of Eq. . Then a?ip dz2 fk2+g2 2ga l(l + l) 1 z*)i> ±(T'(-^*and S=-z2. .123) the contribution fl<°> -Ah + . We now insert this equation into Eq. (.6 and 16. .8. The recurrence relation for the functions ip(a) follows from that for confluent hypergeometric functions: -z2f(a) = (a. We then set V>o(2)=2i+1e-z2/4X0(2) Now the function XQ{Z) satisfies the confluent hypergeometric equation (cf. a .121)._ „!2 ^ ( " « 2 r r 2 > .2 '(l + l) . a)ip(a) + (a.a + l)if>(a + 1) + (a. Setting q = in + 3 implies k2 + g2 ga(2l + q).0(z) = zl+1e-z2^fa. 2 .-z2 is a normalizable function if a = —n for n = 0 . <«»> In the limit |g| —• oo we can neglect the right hand side and write the solution ijj —* I/IQ. b. (8. . S) is a confluent hypergeometric function. i/> with Dq = d2 . Then the equation is Dqi> = -Ah+-y 2 4 ^ 1 1 » fc- i\ . .. 3\ 2 V ' 2.• 0 ( ° ) = ipq(z) = zl+1e-z2/4<S>(a.b. 2 The solution XQ(S) = $ ( a .l)ip(a . The solution i. (8.2a2 A. 159 •g'-g'a'V U E Here we change the independent variable to z = y/2gar.1).V ! 4 I -z- S *! V2 ipq(z).122) where A is of order 1/g. 1 . 11.123) The first approximation (note the last expression as convenient notation) ^ .7 Dingle-Muller Perturbation Method Solution: We expand the exponential and rewrite the Schrodinger equation in the form rfV (ir 2 .b.2) where 1/ . (fc2 + <?2) 4ga and b = I -\—. „2 J„2JL. multiply the equation by one-half and set h = —a/g. \2 . Sees. (8. 1 1(1 + 1) 1 .

.120). a + r) + S m _ i ( a . where [a. of course. a + i-)(a + r.a]2+L ^ J1[a + 2 . _ J [a . one can write down recursion relations for the coeffcients of powers of hl as will be shown later in a simpler context.160 where (a.S m (a.2a = I + -q.l .120). a + r) satisfy the following recurrence relation: Sm-i(a. when j = 0. a + r) with the boundary conditions Sn(a.a]i = . the latter determining to that order the eigenvalue.123) and so in R(°> can be taken care of by adding to the previous approximation the contribution fitp{a + j)/j except. So (a.^ A + J7^S2(a'a)' K a +J]i+l = 4 / i + 2-)!' S ''+ 2 ( a ' a + j) for i and j not zero simultaneously.a]i It is clear that the various contributions can be obtained from a consideration of "allowed steps". (8. fa. (a. a + r) = 0 for |r| > m. 0 = h[a.Z.a—lli. a ] i + 0(/i3) [a. This equation shows that a term fiip(a + j) on the right hand side of Eq. a) = 1.a — 211 . one could now use the Rayleigh-Schrodinger method and rederive the result (8.3).a]1=0. a . fa. ( 5 m ( a . If we now evaluate the various coefficients in the last expansion we obtain the result (8. i. a + r) = i 2 \ m ?n -z J -0(a) = J^ j= — m S m ( a . (a. o + r) + S m _ i ( a .e. Now we make the following important observation that Dqip(a + j) = jip{a + j). a]i + h fa. Hence the next order contribution to tp^ becomes oo i+2 r [a a . „ . . a ] x + L _ 2 J 1 [ « .b = (g + 3) . a + i) = 0 for i ^ 0. Time-Independent Perturbation Theory (g . a + r + l)(a + r + l .a + j}i+1^(a + j).i ^(i)=£V+i i=0 J2 j = -(i+2).2. The coefficients S m ( a . a + j)i/>(a + m). a ] i + L ' ^ J 1 [ a + l .1) = a . As a check on the usefulness of the perturbation method employed here. a + 1) = a = In general CHAPTER 8.a + 2]i P . In fact. The above remainder i j ' 0 ' can now be rewritten as oo i 1 R(0)=J2h + i+2 i+2 ]T -(i+2) [a. a + r — l)(a + r — l .j^0 ' + jU+1 J ^(a + j) with h[a. Now proceeding as explained in the text one obtains finally the expansion ip = ^(°) + v ( 1 ) +y>(2) H — along with the expansion from which A is determined. a) = b . a + 111 r [a.

We therefore begin with the appropriate classical considerations with a view to generalization. We know from classical electrodynamics that a planar light wave with propagation or wave vector k and frequency u> is represented by a vector *So far our considerations were restricted to one-particle systems. and we shall then see that these lead to analogous results as in Chapter 2.2 Reconsideration of Electrodynamics In this chapter we consider some aspects of classical electrodynamics with a view to their generalization in the direction of quantum mechanics. although not exactly straight-forward. proceeds along similar lines. 161 . In continuation of our earlier search for an approach to quantum mechanics as close as possible to classical mechanics by looking for the generalizability of classical mechanics — as already attempted in Chapter 2 — it is reasonable to consider also classical systems with a wave-like nature. the generalization to many particles.1 Introductory Remarks We saw in the foregoing chapters that in considering a particle system which is classically described by the solution of Newton's equation* is quantum mechanically described by states which in the position or configuration space representation are given by the solutions of the Schrodinger wave equation.Chapter 9 The Density Matrix and Polarization Phenomena 9. i. 9. as we shall see in Chapter 27. Regrettably this has to be left out here in view of lack of space. and this means electrodynamics. except for the canonical algebra which has to be formulated with Dirac brackets replacing Poisson brackets.e. light.

t) given by A(r. When Ao/? is perpendicular to Ao/ and |Ao#| = |Ao/| the ellipse becomes a circle and the field is said to be circularly polarized.162 CHAPTER 9. This is the equation of an ellipse as indicated in Fig. The Density Matrix and Polarization Phenomena potential A(r. 9. In the latter case one has the possibility of {A0R x A 0 /) • k > 0. When AQR is parallel to Ao/ the ellipse becomes a straight line and the wave is said to be linearly polarized. (9.2) (9. In general the constant Ao is complex. t) = A 0J R cos(cji) + A 0 / sin(u.t) = 3ftA.5) which is described as right polarization as compared with left polarization for which (A0R x A 0 /) • k < 0. (9.4) (9.1.6) .e. A 0 = A0R + iA0I. i. 9.1) Fig. (9. t) = A(XR cos(k • r — cut) — Ao/ sin(k • r — cot) and at r = 0: A(0. It follows therefore that A(r.i).oei(k-r-wt> which satisfies the transversality or Lorentz condition k • A = 0.1 The vector potential ellipse.3) (9.

the intensity of a wave.e.A« we can construct only the following scalar products with this invariance: (A(°\A(°)). determined with the help of a polarizer. a calcite crystal or a film of nitrocellulose. however.9) The intensity is characterized by the fact that it can be looked at as the "expectation value" (1) of the unit matrix 12x2. (AW.A i = 0 = k .y)) components A i . (A(°). We set therefore A 0 = Ai + A 2 . we recall.11) 'This means we consider the polarization. (9.e.2 *i*4 0) (9-8) with coefficients F^. p. which leads to an outgoing wave which we give the label "1". From the vectors A(°). the fields E and B are observables.8).A2 is the sum of the moduli. Rae [234]. but the polarization (state) and the intensity can change (the latter by absorption) from R(0)} - R ( 1 ) }- In view of the linearity of the Maxwell equations. i. with k . . Then their connection is given by Eq. I=<l2x2>:=E40)*l*40)i. (9.2 Reconsideration of Electrodynamics 163 As a consequence of the Lorentz condition (9. i. Observable quantities can only be those which are invariant under translations and rotations.2) the vector potential A is completely determined by its two (say (x.A 2 .9.e. See for instance A.k (9-10) We give the initial wave the label "0" and subject this to an experiment. i-e.7) We consider now measurements with polarized light. i. In classical electrodynamics. (9.A(°)). the vector potential A. represented by a filter "F". not. 17. Here we are interested in observable properties of light waves — like. (AW. for instance.t in which k and ui remain unchanged. the direction of polarization.AW). (9. / = 4 0 ) * 4 0 ) + 4 0 ) * 4 0 ) = (A(°\ A<°>) = |A(°)|2.A«). The intensity 7 of a light wave with amplitude coefficients A\' . the connection must be linear. as e. AW = £ fc=l.g. A2.

13) the quantity F must be an hermitian matrix and thus representative of an observable. (9.k i (9. The Density Matrix and Polarization Phenomena Only the second last of these combinations describes the experiment. Thus (F) = J2FikPki = ^(Fp)a. We use definition (9. i.A*FikAk.15) in order to rewrite Eq. if (F) is an observable quantity. i. But we can convince ourselves that we achieve exactly the same as with our earlier consideration of observables.e. Thus.14) We now introduce a matrix p — called density matrix — which is defined by the relation pik := AiA%. (F)=Tr(Fp). pki = AkA*.13) This consideration of translation and rotation invariant quantities is somewhat outside the framework of our earlier arguments.15) This matrix is hermitian since (Pife)t = (AiAtf = (A*Akf = (AkA*f = {pkif = (Pik).e. (9. (A(°).k l f c 4 ° \ (9.A*kF£A* = E and hence F = Fl A p i tkAk.164 CHAPTER 9. it must be real and hence (F) = <F>*.16) i.17) . (9. the connection between the initial polarization and the final polarization.12) i. (9. (9.e. (9. To this end we observe that as a consequence of Eq.k (9. We write the observable quantity as (F):=Y. so that (F) can be looked at as the expectation value of an observable F.13). i.13): j2^FikAk = Y^AiF*kAi = Y. Then according to Eq.A( 1 )) = ^ ^ F i.

<»^> (9.d "»=(o ! ) " In the case of an admixture with equal portions of 50%. it is a statistical admixture of light rays whose polarization vectors are uniformly distributed over all directions. we can describe the wave function of the state polarized in the direction of x or y respectively by \<P)I =f0 J and \fh = ( i ) A special state is represented by j)=-(J)+<!) with |a| 2 + |6| 2 = l. (9. i. "incoherently. b = 1 we obtain the expressions (9. For a 45° polarized wave we have 1 .21b) This state is still a pure state.15) with A\ = a. This admixture is described by introducing matrices p. b = 0 and o = 0.e.22) For a — 1.18) The vector A describes a particular ray of light. In the present case of a polarized beam of light we have two possible. 1 The classical polarization vector or wave vector A corresponds in the quantum mechanical case to the wave function ip. But light. . A2 = b as </*) . The density matrix for the pure state (9.( J o ) .e.9. 165 (9.(AAt) = ( £ £ ) . is given by a single polarized wave. like that of a bulb.e. i. mutually orthogonal polarization directions x and y described by the matrices (see also below) * .* For a light-wave travelling in the direction of z.19). that of a pure state. we have (9 19) ' In this case there is no preferential direction.2 Reconsideration of Electrodynamics In particular we have / = Tr(p). i. is in general unpolarized. The so-called pure case. (9.21a) follows from Eq.

b = —=. We now inquire about the the way p changes in the process of the transmission of the light-wave through an apparatus. The Density Matrix and Polarization Phenomena P45° = I 1 For a 135° polarized wave we have a = and l M . (9.g. We set in analogy to Eq.Z^ 3.24) The following two 50% admixtures yield the same effect: 1 1 (\ 0\ P = -2P*+2Py=[Q 1 P = 2^ 4 5 ° + 2P135° i J. in which the intensity I = Tr(p) is not conserved (e. (9. l l\ " i °\ ) ' ^9-25^ 9.15) Pik — A i A k . (9-26) where a is a parameter whose variation describes the continuous variation of the polarization from its initial state labeled with "0" and hence parameter value OQ (analogous to t or j3 in our earlier considerations of the density matrix) to the final state with label "1".3 Schrodinger and Heisenberg Pictures As in Chapter 2 we now consider on the purely classical basis the (analogues of the) Schrodinger and Heisenberg picture descriptions. (9.™ V 0 n kmAm / ^-^jPim-^mk' .23) 1 . Then according to Eq. We shall see that the matrices appearing in the description of polarization properties of waves possess the same generalizability as the particle considerations of classical mechanics.166 and CHAPTER 9. 1 = . as a consequence of absorption). Pi35° = \ \ 2 ? )• (9.8) A(1)=E^40)> k R = R(<*).8) describes the relation between the initial and final polarization vectors A^°) and A^1) respectively in a measurement of the observable F. Equation (9.

In the case of Eq.9. (9.29) where (i.pW).e. (9. In the case of Eq. (9. (9. on the other hand. and p(0' remains unchanged. 9.28) (9. (9. that the initial intensity Jo is equal to the final state intensity I\.e.30) Ti{FRp{®I$) = Tr(F.17) (F) (1 ) = Ti{FpM) = = Tr(tiiFRpW) F' = RtFR. The corresponding condition here is that no absorption of the wave takes place. We can interpret the result either as (F) ( 1 ) = Tr(F{Rp(0)R}}) or as (F){1)=Tr({RtFR}p<-0)).4 The Liouville Equation It is natural to go one step further and to derive the equation analogous to the Liouville equation. here this contains the dependence on a. in the state functional) in analogy to the time dependence of W(p. The two cases are completely equivalent and can therefore be described as Schrodinger picture and Heisenberg picture representations.32) (9. the observable is transformed.e. (9. i.31) (9. that Io = Tr( / 0 (°))=Tr(pW) = / 1 .t) in Chapter 2 in what we described as the Schrodinger picture there.e. in other words without creation or annihilation of systems. The Liouville equation describes the motion of an equal number of systems in phase space elements of the same size.31).4 The Liouville Equation 167 pW = RpMRl (9.q. the observable F remaining unchanged.30) the dependence on a is contained in pW(a) = R{a)p^{a0)RJ'(a) (9.27) The measurement of an observable F in the new state with superscript " 1 " then implies according to Eq.34) . the dependence on a is contained in F' = R^(a)FR{a).33) i. i.

B].40) Equations (9.39) and (9. The Density Matrix and Polarization Phenomena Tr(p(°)) = Tr(p^) so that = Tr(Rp^R^) RlR = 1.M .33)) we obtain correspondingly in the Heisenberg picture the equation ^ = +i[H. j£ = -i[H. CHAPTER 9. (9.32) in the Schrodinger picture that p^iao + da) = = = or ( w i t h p(°> —> p) (9.168 i.35) we have 1 = R*R = (1 + M W ) ( 1 + Mda) ~ 1 + (M* + M)da. (9. Eq. .p(°\ao)]da.38) H = Hl R(a)p(°\a0)R\a) (l-iHda)p(0)(a0)(± + iHda) pM(ao)-i[H.F}. (9.B}:=i[A.36) (9. (2.e. = Tr(R^Rp^).35) Thus the matrix R has to be unitary.40) can be considered as quasi-equations of motion. i. (9. (9. In Chapter 27 we shall see that the Poisson brackets here are actually Dirac brackets because the gauge fixing condition (9. For p ( 1 ) ( a ) = p ( ° ) ( a 0 + da) follows from Eq.2) has to be taken into account. (9.37) (9. We set therefore M^:=iH. the matrix M is anti-Hermitian: Mf = .46) suggests to define Poisson brackets of matrices by the correspondence {A.41) We see therefore that the 2 x 2 matrices entering the description of polarization properties of waves possess the same generalizability as the particle considerations of classical mechanics in Chapter 2.39) If the dependence on a is not contained in p^1' but in F' (cf.21) and (2. Comparison of these equations with Eqs.p]. (9. In view of Eq.e. For an infinitesimal variation of the state of polarization we have R{a) = 1 + Mda.

Thus the expectation value with respect to the vector describing the state in the Hilbert space does not depend on this phase factor.1) This expectation value remains unchanged if \u) is replaced by e%a\u) with a real. (10. To insure that the 169 . In keeping with our earlier notation the expectation values of dynamical variables are defined as follows: Postulate: The expectation value or mean value of an arbitrary function F(A) of an observable A in the case of a system in the state \u) £ "K is defined as the expression (F(A)) = (u\F(A)\u). and consider timedependent perturbation theory.1 Introductory Remarks In this chapter we are concerned with the formulation of quantum mechanics in general. the Schrodinger. Heisenberg and interaction pictures.2 States and Observables Every state of a physical system is represented by a certain ket-vector \u) which is an element of the corresponding Hilbert space "K.Chapter 10 Quantum Theory: The General Formalism 10. we establish their Heisenberg equations of motion. 10. Thus in particular we establish the uncertainty relation for observables in general.

Naturally one can also write (10. In order to avoid multivaluedness one always starts from Cartesian coordinates in position or configuration space.g.Pi are called fundamental observables. The phase space coordinates qi.3 represent the three Cartesian coordinate directions of x. however. which clearly does not hold in the case of operators. Here. E. Such a correspondence with classical mechanics is not always possible.q). 10.4) *Even in those cases where this is possible the operator correspondence may not be unique.B] = ih. B We first establish the following theorem: If A and B are observables and hence hermitian operators obeying the commutation relation [A. y. \pi. we must have (u\u) = 1. We can describe a system as one with a classical analogue if the Hamilton operator of the quantum system is obtained from the Hamilton function of classical mechanics by the correspondence •^i • Qi.2) (F(A)) = {u\u) <"lf. where i = 1.2.170 CHAPTER 10. [qi. Pi • Pi. For these the following rules of canonical quantization are postulated: Postulate: The operators q~i. Quantum Theory: The General Formalism expectation value of the unit vector or identity operator is 1. z and for definiteness here — which will not be maintained throughout — the "hat" denotes that the quantity is an operator.Pj] = 0. we assume this now.Pj] = ihSlj.Pi are postulated to obey the following fundamental commutation relations (again leaving out "hats"): [Qi. such as for instance of the angular momentum operators Li. The first step in the investigation of a quantum mechanical system is to specify its dynamical variables A. q). classically qiPi = PiQi.2.1 U n c e r t a i n t y relation for observables A.Qj] = 0. (10. and assume that A = A(p.* a conspicuous exception being for instance a spin system. .y. (10.3) These fundamental commutators determine the commutators of arbitrary observables A = A(p.

Hence (AA)2{AB)2 = (A2)(B2) = (u\A2\u)(u\B2\u).7b).8) and. Applying to the expression (10.1) (AA)2{AB)2 = > (u\A2\u)(u\B2\u} \{u\AB\u)\2. (10. (4. (A-{A))(B-{B))-{B-{B))(A-(A)) (10. C = A. Thus AA = AA = ( i 2 ) V 2 . (10..2 States and Observables then their uncertainties AA. using Eq.11) (A2) = (A2) . (10. AB defined by the mean square deviation AC=((C2)-(C)2)1/2. (10.6) B:=B-(B). Since A = A— (A)..(A)2)1'2 (1 °= a) ((A2 + (A)2 .2A(A) + (A)2.5) are subject to the following inequality called uncertainty relation: AAAB In proving the relation we first set A:=A-(A).. (10.2A(A)} - {A)2)1'2 (10. Then [A.B.13) AB = AB = (B2)1/2.7b) = = [A..0)1/2 = AA.7a) (B) = 0. we have A2 = A2 . 111 (10. (10.9) ((A2) + (A)2 . Eqs.B\u) G IK as vectors) we obtain (for an application see Example 10.9a). (3. so that (A) = (A) .12) the Schwarz inequality (cf.10) .{A)2)1'2 {{A2) .(A) = 0.2(A)2 .5)) (for A\u).(A)2 = (AA)2.12) where \u) 6 "K is a ket-vector representing the state of the system. = \\A\u)\\2\\B\u)\\2 (10.10. (10. Ai = = = ((A2) . B}= ih.B] = AB-BA > ^h.

(10. We can therefore rewrite Eq. since A and B are hermitian.3.172 CHAPTER 10. From this we obtain |(u|iJB|u)| 2 = i22 + / 2 . R= -(AB + BA). 4. and with Eq. and hence for condition (b) 0 = = tSee Sec.4). Zi (10. (AB + BA) This means (AB + BA) is real. Zi Zi (10. (10. . for a complex constant c.15) = = (u\AB + BA\u) = (u\(AB + BA)^\u)* (u\(AB + BA)\u)*. AAAB>I=-h.17) as had to be shown. (10. The equal-to-sign applies in the case when (a) it applies in the Schwarz inequality.16) I = -h. (10. The condition (a) is satisfied when. Zi + BA)\ + ^ih.19) (u\AB + BA\u) = (u\AB\u) + (u\BA\u) c*(u\BB\u) + c(u\BB\u) = (c* + c)(u\B2\u).14) Hence (u\AB\u) = /^(AB where. Then AB = \(AB + BA) + \(ABZ Z BA) (1 = 8) \{AB + BA) + \ih. (10. (10. A\u)=cB\u). and (b) when (AB + BA) = 0.13) (AA)2{AB)2 i.e. Quantum Theory: The General Formalism Next we separate the product AB into its hermitian and antihermitian components^ and use Eq. (10.15) as (u\AB\u) = R + iI.18) >R2 + I2.

m\lm)). i.3 One-Dimensional Systems 173 Thus c = — c*. Separating the product into symmetric and antisymmetric parts. we obtain {ALi)2{ALi)2 > \{u\LiLj\u)\2. such that Lz is "sharp". the following uncertainty h2{Lk)2.Lj] = -(LiLj + LjLi) + -ih£ijkLk. (Lz)2^0. ALZ = 0 (these are states \lm) with Lz\lm) it follows that (Lx)2 = 0. For states \u).20) or. i. = 5R2 + G 2 > 9 2 = hi2(Lk)2. i. (10. (Ly)=0. Thus in this case Lx. implying {Lx)=0.3 One-Dimensional Systems We now consider one-dimensional systems with a classical analogue as described earlier. for which one component of L is "sharp"? Solution: Applying Eq.10. + LjLi\u).z. The observables like angular momentum are functions of p and q. ALX 10. Example 10.e. 9ftc = 0.1: Angular momentum and uncertainties Show that in the case of angular momentum operators Li. -h2(Lz)2.-) 2 > = x. (Lx±iLy) ^ 0.7a). in view of Eq.y.e. we have LiLj = -(LiLj and ^ = y(u\LiLj so that \(u\LiLj\u)\2 Hence {ALx)2{ALy)2 > l + LjLi) + -[Li. {u\LiLj\u) = R + iQ. q) = -ih. (A-{A))\u)=i(Zc)(B-(B))\u).i relation holds: (ALi) 2 (AL. implying that the vector |it) has to satisfy the following equation: A\u) = i($Sc)B\u) (10. What does the relation imply for states |u) = \lm). (Ly)2=0. (ALy)2{ALz)2 > ~h2(Lx)2. ALy = (u\L±\u) ^ 0. Ly are not "sharp". For these we have in the one-dimensional case the relation [p. i.e. . (10.13) to operators Li — Li. (ALZ)2(ALX)2 > \h2 = (Ly)2. 9 = -h{u\eiikLk\u). = 0.e.

We obtain these equations as follows.BC] = [A.21b) now follow with the assumption that A(q.e. and (c) the spectrum is not degenerate.C\.21a) and (10.21a) Equations (10. Q2] = [p.pn]=ih-^(pn). as remarked earlier. (b) its spectrum is necessarily continuous.34d)) [A.i h ^ ^ . This is why the operator p requires a representation in the space of eigenvectors of q. (10.p] = ih we obtain therefore [q.qn] = -ih^(qn). Quantum Theory: The General Formalism Since this says that p and q do not commute (as operators). Eq.q).p] = ^ihp ~ Proceeding in this way we obtain [q.23) = -ih-g-(q2) (10. We demonstrate that (a) its eigenvectors have infinite norm (in the sense of a delta function).p)]=ih^^and \p. Then (see below) we can derive for A the following commutator equations [q.21b) (10.p}p + p[q.22) d ih—(p2). Next we have a closer look at the operator q. q]q + # > v] = ~2ihq and \p.p) can be expanded as a power series in q and p. A — A(p.174 CHAPTER 10.B]C + B[A. (10. Using [q.e. i. Similarly we obtain \p. (3. We have (cf. they do not have a common system of eigenvectors. i.p2] = [q.A(q.p)] = . for q\x) = x\x) we have p\X)=\x)(-th^y Now let A be an observable.A(q. .

28) i. (10.21a) A by U. i. Since p = p\ follows t h a t U\a) so t h a t U(a)U\a) = 1.3 One-Dimensional Systems 6K(x) 175 Fig.1 The delta function for K — oo. 10.f^ ^ J—oo dke ikx —ikx' (10.e.27) (10.1 how the delta function arises in the limit K —> oo. = eipa/h = Uia)'1 = U{-a). U] = ih^= aU.10. 6K(x-x') = — fK dkeik^-x'^ 2TT J-K sin K(X -K{X — x') — x') (10. We have (x\x') = = where f^ J—oo dk(x\k)(k\x'} (4 = 9 ) ±. we obtain [q. and a a c-number.25) It is shown in Fig. Replacing in Eq. (10.24) lim SK(x — x') — S(x — x'). 10. . > We begin with (a). U is unitary.26) it Here p is an observable. an operator. We thus see explicitly t h a t the vectors \x) have infinite norm (in the sense of delta function normalization). For the cases (b) and (c) we consider the operator U(a — p-ipa/h (10.e.

we can see that also p possesses only a continuous spectrum (from —00 to 00). Eq. we obtain qU\x) = U(q + a)\x) = {x + a)U\x). and that the eigenvectors do not have a finite norm and are normalized to a delta function according to (jPx\Px) = S (Px-p'x)- With the help of the observables p.00). i. (10. (10.1 T h e translation operator U(a) We saw above.00). that with U(a) = e~ipa/h = U. Since this holds for any arbitrary value of a in (—00.31) . or qU\x) = U{q + a)\x) = (x + a)U\x). b a c-number). ^Observe that {iji\A{p. or qU(a)\x') = (x' + a)U(a)\x'). CHAPTER 10. The eigenvectors have the same norm as \x): (x\U*U\x') = (x\x') = S(x-x'). which means that the spectrum of this operator is a continuum. Thus all these values belong to the spectrum of the operator q. this means: With a unitary transformation (which leaves the matrix elements unaffected * and hence the physically observable quantities) one can pass to any arbitrary eigenvalue in the domain (—00. In an analogous way by defining the unitary operator U(b) = eiqblh (q operator.e.29) This means: U\x) is eigenvector of q with eigenvalue x + a. 10. (10. the spectrum is not degenerate. Evidently every eigenvalue has only one eigenvector.30) (10.q)U^U\ilj).e.3. WU = 1.29).176 i.q)\i>) = (i>\U^UA(p. Quantum Theory: The General Formalism qU = Uq + aU = U(q + a). q any other observable F(p. cf. q) can be constructed representing a dynamical variable.

x") U{x'\p\x" % -pz. It also follows that (x'\U(a)\x") = (x'\x" + a) = S(x' . (x'\p\x").31) and (10.e) ~ 5{x' . i.3 One-Dimensional Systems 177 Moreover.x" .32) Since U is unitary. we have q\x' + a) = (x' + a)\x' + a). \x') = U(x')\0).e.37) we set (with e infinitesimal) U(e) ~ 1 Then (x'\U(e)\x") = 6(x' .34) {x"\U\a)U{a)\x') c*(a.x")c(a.32) we see that \x' + a)ocU(a)\x'). (10.e.x')\ = l. the operator U(a) acts to shift the value x' by the amount a. (10.a).hm or „'i„i™" s> i ™' ~/ (x'\p\x")\ = -8'{x' -x").x') = = i. i. (10. In the expression of Eq.39) . for instance. (10.10.33) (10.x" . It follows that U(a)\x') = = U(a)U(x')\0) = U(a + x')\0) \x' + a).e.5(x> . (10. i. The operator is therefore called translation operator. (10. offdiagonal elelemts of the {x}-representation of the momentum operator. \c{a.x" . U(a)\x') = c\x' + a)./ (10.36) i.e.37) With the help of the latter expression we can calculate.38) h 6(x' .x')5(x" = (x" + a\c*c\x' + a) -x').35) (10. We choose the phase such that U(a)\0) = \a).e) (x \p\x ) = . it follows that 5{x" . (10.x") . since q\x') — x'\x').e. Comparing Eqs.

i.x") = (x'\p\x")*. isolated from any measuring apparatus which would disturb the system and hence its behaviour in the course of time) and let \tp(t)) be its state vector at a later time t > to (with no interference in between). to) with respect to t we obtain ihjtU(t. We introduce another postulate: Postulate: The time dependence of the vector \uE(t)) is given by the relation \uE{t)) = e-iH^-t0^h\uB{tQ)).to) exists which is such that^ m)) = u(t. a conservative system. H\uE(to))=E\uE(to)). 6'{x) = -!. it follows that 5'(x) is an odd function of x.e. See Eqs.L fdpeipx.to)m0)). i. 5.45) (10. Let \UE) be an eigenvector of the Hamilton operator H with eigenvalue E.e. This is in conformity with our earlier postulate in Sec.43) (10.178 CHAPTER 10. (io.4 Equations of Motion Let \tp(to)} be the state vector at time to of a completely isolated system (i. For the way the state of the system develops in the course of time we make the following postulate: Postulate: A linear operator U(t.f dpipeipx.42) ^Observe that 6'(-x) = £ f ^ dpipe-** = ± / . (10.44) (10. so that U{t.t0). Quantum Theory: The General Formalism We mention in passing that.§ It follows that (x"\p\x') = --d'(x' This expresses that p is hermitian.35).e.t0) = HU(t.to) is called the time development operator. since 5(x) = . (10. .tQ) = e-iH(t-t<Mh. In this case the classical Hamilton function does not depend explicitly on t. Differentiating U(t. .40) 10.27) and (5. The operator U(t. (5.4.° ° d(-p) (-ip) e"« = -S'(x).4i) We assume first of all.

t) and therefore [U(t.4 Equations of Motion 179 We now demonstrate that Eq. Eq.47) e.tiM*i.t)-l]U(t.10. (10.t).*l)|^(*l)> = I7(*2.t)U(t. (10. From Eq.t) = l.t0)\^(t0)).*l)^(*l. (10. = U(t0. t0) = H(t)U{t.to) = 1.48): [/(Mo) = 1 .48) with U(to.t0) [U(t + e.t0)U(t0.to) can be expressed as an integral as the solution of Eq. t0) (10.e.t) = l-^eH{t).t0) or ih—U{t. The operator H is d efined by this relation.t0)]-1 Let us set for small values of e: U(t + e. i.t 0 )|^(*0)> U(t2. Ufa.48)).to).to) (differentiating we obtain immediately Eq.44)) we have U(t.t) = 1. Hence U(t. (10.49) .41) we obtain |^(t 2 )> = = J7(t2. But obviously (cf. t0) = E/(t 2 .t0) = U(t + we have -U(t t) = lim ^ + Mo)-^(Mo) = n (10-46) = U(t.45) has very general validity. In the immediate considerations it is not necessary to restrict ourselves to systems with classical analogues. Evidently U(t. (10. (10.-z / dt'H(t')U(t'. (10. Then with U(t + e.

(io.t0)\ii>s{to)) (10.53) . and these remain unchanged under unitary transformations. the Schrodinger equation ju(t. Another such description is the Heisenberg picture. (10. whereas the physical quantities are represented by observables in "K which do not depend explicitly on t. >(*)> = i. Since the only measurable quantities are moduli of scalar products. it follows that U(t + dt. requires the identification H(t) = H= Hamilton operator.30).52) is the operator of an infinitesimal unitary transformation (recall that U = 1 + ieF satisfies the unitarity condition UU^ = 1 provided F — F^). Comparison with the equation postulated earlier.41). i. The eigenvectors of these observables are also constant in time.(£ + dt)) = U(t + dt.180 CHAPTER 10. to) can therefore be interpreted as a product of a sequence of infinitesimal unitary transformations.e.51) Since |</. The operator U(t.t) = l % ^Hdt) \il>(t)) -Hdt (10.5o) ihjtm)) = Hm)). One describes as Schrodinger picture the present description of a system in which the state of the system is represented in terms of a vector \ip(t)) which changes with time t. the instant at which a measurement is performed on the system. Then the probability to find the system in a state \x) is \(xm2 = (xm(ip\x)With unitary transformations we can pass over to equivalent descriptions. (5. In the following the subscripts S and H indicate Schrodinger and Heisenberg picture quantities. (10. Then \Mt)) = u(t. the predictions of different descriptions are identical.t0) m0)). Now let \tp(t)) be the state of the sytem at time t. Eq. t)\t/>(t)) =U~ and since H is hermitian.e. Quantum Theory: The General Formalism We obtain the differential equation for the development of states of the system in the course of time by differentiation of Eq.

we have to take into account the contribution dAs/dt.HH]+ihU^U.55) Thus AH is explicitly time-dependent. Thus. (10.e. (10.p) in the Schrodinger picture dAs/dt = 0. the vector space of the Schrodinger picture (description) is transformed in such a way that the state of the system is described by a vector \I/JH) which is constant in time. we obtain ih^-AH at = = -U^HAsU + ihU^^U at + U^AsHU (10. i. As(q. (10.e. . 181 (10. so that a matrix element (i. even if As is not time-dependent.With explicit time dependence.56) U^[As. Here H is the Hamilton operator in the Schrodinger picture. subject to a continuous change. t0).p.(tf HU)(rfASU) (10.10. = so that ihjtAH or ihjtAH = = [AH. (10.4 Equations of Motion and \^H) = U\t.48). Differentiating Eq. we consider only cases without explicit time dependence of As. It does not always have to be the case that As does not contain an explicit time dependence. but here.i). In the Heisenberg picture it is HH = U]HU.58) HHAH (U*ASU)(U^HU) [AH.H]U + iW]^-U.59) This equation is called Heisenberg equation of motion. if ^ = 0. as a rule.57) and rf[As. t0)AsU(t. (10.t0)\ips(t)) = \ips(to)) = constant in time.HH].HH]. for instance in cases of non-equilibrium or if part of a system disappears through absorption. i. However the associated observables are time-dependent. For As(q.e. in order to obtain the Heisenberg picture (description).54) Observables transform correspondingly with a similarity transformation. {AH.H]U = = = U]ASHU AHHH — -U^HASU .55) and using Eq. a scalar product) remains unchanged: AH(t) = U\t.

HH}=0. The "pictures" just explained — with regard to the time development of a quantum system — are not to be confused with the representations of the theory.61) Thus conserved quantities commute with the Hamilton operator. In particular. (10. In the Heisenberg picture essential properties of a system can frequently be recognized more easily in relation to their counterparts in classical mechanics — in both cases the time development of a system is given by the time dependence of the dynamical variables. as in the transition from the configuration or position space representation to the momentum space representation with the help of Fourier transforms. (10. We end with a word of caution.13) to derive the uncertainty relation for energy and time. in the case of the fundamental dynamical variables qi. .21b).182 CHAPTER 10. In our treatment of representations. In many cases the Schrodinger picture is more amenable for explicit calculations. An observable CH is called a conserved quantity. This holds also in the case of the Schrodinger picture.2: Energy and time uncertainty relation" Use the Heisenberg equation of motion and the general relation (10. provided the Poisson brackets in the latter are replaced by commutators. Quantum Theory: The General Formalism Wave mechanics is now seen to be the formulation of quantum mechanics in the Schrodinger picture. Example 10.21a) and (10. For an extensive discussion see B. we used in essence unitary transformations of matrices.Pi): and where the expressions on the right follow from Eqs. We also observe that the momentum pi is conserved when \pi. Finally we add a comment concerning conserved quantities. since in the transition from one to the other the commutator remains unchanged. [CH. Orfanopoulos [224]. if ffCH = 0.H] = 0. i. A. In the treatment of the pictures we used unitary transformations of operators (and vectors). We see that formally one obtains Hamilton's equations of classical mechanics. Solution: We have for an observable A (A) = (i>H\AH\TpH).e.Pi we have in the Heisenberg picture (replacing in the above AH by qi.

62) and dAs/dt > \WAH\i.\HAM\2) -\(nA. i. we can replace ([AH.Such a characteristic time interval can be defined for any dynamical variable.HH]) Hence we obtain by ih-(A).e. (10.15): (AAf(AH)2 Using Eq.63) so that with Eqs.H]) = 0. > (10.e. (10. 2 d{A)/dt " and. of A\<t>) = a|<£)) are then called "good quantum numbers". The probability density P ( r ) = | ^ ( r ) | 2 = (^|r>(i#> is independent of t. this is practically the same as at time t for times t with \t — t'\ < T.e.p) we then have 0=^M) = U[A. 183 dV ' \ dt >"•"»» + ( £ ) • (10. (10. We defined earlier stationary states as states with a definite energy E and wave function * = V( r ) e x P ( — i E t / h ) . (10. is displaced by A A in the interval A T = TA.64) = 0.65) and rA AA d{A)/dt' . since \IPH) is time-independent.)\2 ( = \{i.H}\f)\2. the "centre of mass" of the statistical distribution of A. (A). AW = {A(A»|V>. Let \ip) = \"4>H) represent the state of the system. i. and TA O C (10.4 Equations of Motion Then.7a). in a different form: The eigenvalues of an observable are called "good" if [A. . a position or momentum observation is independent of t. dt in. (10. (10. H] = 0. If r is the smallest such characteristic interval of time.67) 1 d(A)/dt is oo and AE = 0.68) To put it The eigenvalues a of A (i.e. This means that for a physical variable A(q. H\tl>) = {H(H))\f).13) and (10. if we set AH = AE we obtain TAAE (10.10.2 > -h. We construct the following vectors using Eq.62) The Hamiltonian H does not depend on time. i. at ^±-AH>h. then if a measurement is made at time t'.66) This means.

(x)fEo(E')e«E-E'Wh 2irh f dE'^E.H ) ( £ .e. the particle density diminishes in the course of time (t > 0).69) (Observe that if ip consists of only one state with energy E in the domain of integration of E'. for instance.Eo(x)e-iEot/he'^2h9(t). (x)/ E o (E')5(E . t)e iEt h ' dt = V>£0 (x) / JO <fte{-7/2+i(i5-£b)}t/ft (10.5 States of Finite Lifetime When E is real and P(x) is independent of t and J dxP(x) = 1. (10.71) From Eq. then fE{E') = S(E-E') and integration with respect to E' yields again t()E(x.t) — ipE(x.70) by From Eqs. the wave function ^ ( x . states with sharp energy (AE = 0). Energy and decay length of the radiated a-particles are characteristic properties of naturally radioactive nuclei. But the number of radioactive (thus excited) nuclei decreases exponentially.69): oo poo p / -oo *PEo(x.72) = V'EoW -7/2h + 0i(E-E )/h -| oo .69) and (10. the wave function ipEo(x. Quantum Theory: The General Formalism 10. First we obtain from Eq. (10. States with finite lifetime (At = r ^ oo) are those whose probability density falls off after a certain length of time called "lifetime". as is observed.)exp(-iEt/h)). This means. i ) = J dE'^El^)e-iEltlhfEo{E'). t) = ^(x) exp(—iEt/h) describes states called bound states of unlimited lifetime. This means that in the case of decaying particles. The wave function of such a state with energy EQ and lifetime r = h/'y > 0 could. Recall for instance radioactive decay. i. (10.£ ^ + n/2)^ o ( x ) e{^1/2+i(E-E )}t/h 0 o =0 .tyEt/hdt = = = / J—oo dt J dEJrl>E. have around EQ the form ipEofct) = i.70) we obtain: oo / -oo TPEO (x. On the basis of the uncertainty relation AEAt > h these must have an uncertainty AE in their energy spectrum. (10.70) we can determine the function fEo{E) integration with respect to t. (10..t) of such a state must be the superposition of states with different energies about EQ and a corresponding weight function / so that ^ ( x . /-oo (10.184 CHAPTER 10.E1) 2irhfEo{E)4>E(x).

whose real part EQ specifies the energy of the state and and whose imaginary part 7/2 specifies the lifetime r = h/j. We obtained the result (10. 185 i.41).45) can be solved only approximately (in actual fact. every unitary transformation of states and operators defines a possible "picture"). to) be an approximate but unitary solution of this equation.45). i.6 The Interaction Picture One more motion picture of quantum mechanical systems is in use. Let U^°\t.toM{to)). and is called "interaction picture" or "Dime picture".e. 10. (14. (10. of course. This description contains effectively parts of the other two pictures and is particularly useful when Eq. where U is the solution of Eq.11).6 The Interaction Picture Prom the last two equations we deduce for E close to ipE0(x).e.e.e.74) Thus the solution of this equation is the main problem. (10. . We see therefore that the states with lifetime r < 00 and TAE > h belong to the continuum of the spectrum.76) **For specific applications see e. ih-U(t. A state is discrete if its immediate neighbourhood (in energy) does not contain some other state. The state with lifetime r — h/'y is not a discrete state. (10. 7 > 0. They are called "resonance states".73) precisely by assuming with fEo{E)^8{E-EQ) a "smearing" of states around the energy EQ (with uncertainty AE).t0). (C/(0) unitary).to) = HU(t. i. the formula says that JEQ{E) possesses a simple pole at E = -Eo — 27/2. which means that a nucleous with discrete energy EQ does not possesses some other admissable level close to EQ. W)) = U(t.g. i.10.e. Considered as a function of E. £/ = £/W(Mo)^'(Mo). V-E(X) ^ ^ (£ > = -dbfi-ft+T/*- (la73) This result is known as the Breit-Wigner formula. |^(*o))> then \xp(t)) for t > t0 follows from Eq.105) and (20. (10. i. that** EQ. We saw previously that if the state of a system is known at time to. Eqs. (10.75) (10.

e.h^U> = at ( io. i.t0) 0 = l.83) ih^-U^ ishermitian. (10.78) at with the initial condition c/(0)t f ^ ( 0 ) _ ^ ^ 1 V \ at J U\t0. Now let H^(t). with Hamiltonian H = H^ + H'. be defined by the relation H(°)rj(0) _ i h ^ l = 0 (exact)> n (0) = e-iH(o)t/aj (1080) i. [/' has only a weak ^-dependence (i. In addition we have (10.e. i. dt so that #(0)t ( t ) It follows that H{0\t) = dt = H<®{t).81) But [/(°) is unitary. varies only slowly with t).78) (10. = HU<®U'. Quantum Theory: The General Formalism ih^(uWu') i.77) C/(o)t itiuWfLu^HUMu'-ih^-U' at or i. H(°Ht) = ih^uW. . i.186 Then CHAPTER 10.e. (10.e.e. For a "good" approximation U « [ / ' ' we have HU^-ihjtU^^0. (10. £/(°)£/(°)t = 1.79) ^'~°i.e.e.82) (10. with Eq.

(10. (10.10. We multiply this relation from the left by and from the right by U^ and obtain umHU(o) = c/wt (^WtjW) + umH>Tj(°) i n u ^ ^ + U^H'U^. U^H'U^U' (10.84) U^ where H' is also hermitian. (10.87) = We define correspondingly as interaction picture state |iM*)> = t/ (0). H = H{®{t) + H'.88) and as interaction picture version of an observable A the quantity Ar(t) = tf(°>t AgU^.85) multiplied by U') on the right of Eq. (10.86) at = U^HU^U'. We now multiply this equation from the right by U' and insert the first expression on the right (of Eq.e.91) Since the Schrodinger equation is given by ihjt\^s{t)) = H\1>s{t)) = ( # ( 0 ) + H'Ms(t)).80).89) where |^s(i)) and As are state and observable in the Schrodinger picture.U^HU^U' H'fi'. (10.78) at (10 85) (10.6 The Interaction Picture 187 We use now the subdivision of H into unperturbed part and interaction. (10. (10. (10. lfe(*)}. (10.85) = where we used Eq. (10.92) .90) = U^H'\^s(t)). Then ihjt\Mt)) = ih~u^\Mt)) = u(0)ihi^W and H'^it)) = U^H'U^U^\^s(t)) + ih(^) \Mt)) (10.78). U<®\Mt)) = \Mt)). and obtain from Eq. We also set H^U^H'UW. i.

(10.55)) at + imm<Ms_u(o) at dt _umH(. the vector varies with time (different from the Heisenberg picture).188 CHAPTER 10. ^ (0) l^(*)>.89). (10. a perturbation so that H ~ H(°)). we differentiate with respect to time the operator defined by Eq. (10.60a) or (10. i. so that with Eq. comments after Eq. (10.e.H\0)}.60b) with iff0) instead of H.92) ^°)^|V-/(t)) + ^ ( ^ ) | V ' / W > = ^ (0) ^ (0) l^(*)> + ^ . ot i. H'j = UWH'UW.e. (note the difference between H' and H'j-) ihjt\Mt)) = H'AMt)).e.o)AU(o) at +uWAsHWuW -UWHWU^UWASUW + iww^uw dt +U^ASU^U^H^U^ (10.94) _Hf)Al 1 + lhdAl+AlHf). (10. (10. we have i.e. Since H'j is assumed to be small (i.90) and replacing the left hand side of this equation by the right hand side of Eq. dAs/dt=0) . Quantum Theory: The General Formalism we obtain by starting from the right hand side of Eq.e. near zero and \tpi(t)) is almost constant in time. (with ihjtAI(t) = [AI.93) Thus the vector ipi(t)) satisfies an equation like the Schrodinger equation.89)^0. In order to obtain the equation of motion of an interaction picture observable Ai.80) (and multiplying by t/(°)t) ih~\Mt)) = u<MH'uM\Mt)). i. (10. (10. i.e.95) Thus in the interaction picture the physical quantities A are represented by time-dependent observables which satisfy a type of Heisenberg equation (10. A^t) = U^AsUi0).94) Then we have (normally with dAs/dt dt (io=8o) — 0. cf.

7 Time-Dependent Perturbation Theory We consider time-dependent perturbation theory as an application of the interaction picture.10.99) (10-98) Instead of the original Schrodinger equation we now solve Eq. i. i.93). ih±\Mt))=Hi{t)\Mt)).101) Iteration of this inhomogeneous integral equation yields the so-called Neumann series.87) and (10. Since . the system is in the Schrodinger eigenstate \ips ) of iJ 0 with energy Em. {ipn\<Pm) = Snm.100) (10.94) Hi = uW(t. Integration with respect to t yields \Mt)) = \Mto)) ~ \ \ dt'Hi{t')\^j{t')).80) as E/(°)(t. We obtain the operator U^ from Eq. (10. (10. \Mt)) = +' \Mto))-^fdt'Hi(t')\Mto)) ft J dt' f dt"Hi{t')Hi{t")\^I{tQ)) + (10.97) The equation to solve is Eq. where according to (10.7 Time-Dependent Perturbation Theory 189 10. (10.t0)H'uW(t.t0).e. H0\ipn) = En\(fn). (10.i0) = e-<Ho(t-to)/ft. We assume again that the spectrum and the eigenvectors of Ho are known. ^ \<Pn){Vn\ = 1n (10. We have the Hamiltonian H = H0 + H'. (10. i.98).102) We assume that before the perturbation H' is switched on at time to.e. (10.96) in which the perturbation part H'(t) depends explicitly on time and HQ replaces H^0' in the previous discussion.e. H' = H'(t).

106) We insert this expression into Eq.107) Jto With this we obtain from Eq.105) rt n Jto h ' Jt00 t rt - x - l h ' Jto t0 (10.88) and obtain > n ^ V s ) = {<Pn\eiHot/h\ll>s) = {<Pn\eiHot/hUM\Mt)) = <¥>*(*)>• (10. (10. we can write l 4 0 ) ) m = e-lHot/hWm) =e . Hence we set |^> = £°«(*)l4 0 ) >n. (10.105) In the interaction picture the iJo-state m at time t is \Mt)) = eiHot/hWP)m = \<pm). Quantum Theory: The General Formalism HQ is independent of time. the time dependence of \ips } can be separated as for stationary states. (10. This probability is the modulus squared of the projection of the Schrodinger state \ips) o n t o \ips )„.102) and truncate the series after the first perturbation contribution. (10. (10. We express this state \tps) as a superposition of the states \ips ) n of #o with coefficients which as a result of the time-dependent perturbation depend on time. (10. i.^ V ™ ) .104 ) Here we insert Eq.e.190 CHAPTER 10.103) for m — n and use Eq. The corresponding amplitude or appropriate matrix element is n ( 4 ° V s ) = 5> m (i) n (v4 0) |V4 0) >™ = m fl "W- ( 10 .108) . assuming that this supplies a sufficiently good approximation: IMQ) = \fm) -l-z\ n dt'HW)]^).103) The actual state \ipg) of the system is solution of ih-\^s) = H\^s). (10. n We wish to know the probability for the system to be in a state \ips ) n at time t after the switching-on of the perturbation H'.

» — < (10.Em)t' (<Pn\H'(t')\pm) = Wnm(t).25) we here have the positive quantity (note t in the denominator) s i n 2 { ^ ( £ n . if in the scattering of a particle off some target its momentum p changes to p'.Em)t} \{tfn\H'\ipv h 2h(En . This is the case. but that otherwise the perturbation is time-independent. or if by emission of a photon with continuously variable momentum an atom passes from one state into another. We assume that the perturbation is switched on at some time to. t o = 0.109) the transition probability Wmn(t) = jp Jo .8 Transitions into the Continuum 191 Hence the probability for the transition of the system from state m into the state n ^ m is K(t)\2 = I fdt'e^. A further example is provided by a-decay. (10. (10.111) Different from Eq.10. < -KO?t . for instance. Thus we set H'(t) = H'0(t). where the momenta of the a-particles form a continuum. One reason why we begin with these simplifying assumptions is also to obtain reasonably simple expressions.110) With this we obtain from Eq. (10.Em)t] _ sin2 at aH {±{En-Em)}H Consider the function St{a) :-1 sin2 at ir a2t t 7T for a —• 0.Jr(En—Em)t _ ^ (ipn\H'\(pm) {En — E„ sm{±(En .8 Transitions into the Continuum In many practical applications one is interested in transitions into a continuum.109) 10.En (10.112) for a^0. (10.

(10. though sufficiently small. Fig.io.— = o (En 2h En 2h5{En .2. and no other state would be nearby. so t h a t Wnm would be zero. t—>oo Hence also (shifting t to the other side) sin2{^(ffn-.E7m)t} = (10. In the case of transitions into the continuum we have to consider the transition probability into the interval dEn at En.Em). Quantum Theory: The General Formalism T h e behaviour of this function or distribution is illustrated in Fig.192 CHAPTER 10. 10.113) {±JEn-Em)¥ or n m irtSt En — ^ 2h 1 s i n 2 { ^ ( £ n . We assume t h a t the matrix elements for transitions into this infinitesimal element can be taken .114) It follows t h a t for large but finite times t Wmn(t) 2vr ~ — t5(En Em)\(vn\H'\tpm)\2. we would have En — Em ^ 0. > We see t h a t this quantity has the same behaviour (in particular for a — 0) > as the function 5K(x) we considered previously.Em)t} r i 7 TTT.2 The delta function for £ — oo.ii5) This expression has a well defined value unequal to zero only if the energies En belong to the continuum. Otherwise. 10. Hence lim St(a) = 5(a). . if the energies belonged to the discrete spectrum.

75.* In view of the usefulness of Eq. i. In the case of the functional (10.118) where 8e is the separation of states around En which in the case of the continuum goes to zero.116) The transition rate V is the transition probability per unit time. then Eq.117) were derived by Pauli in 1928. 142. (10. pp./ t->oc TZ J_00 dx .113) this is* hm . Solution: For test functions <p{x) € S(R) the delta distribution is defined by the functional I &(x)4>(x)dx = <j>{0). We evaluate the integral 0(0) = 1. Example 10. sin 2 (tx) ax i—-( * According to F. for instance from a potential. so that initial and final states belong to the continuum. 266.117) in many applications.W . p. t We choose a test function which falls off at infinity faster than any inverse power of |x|: <Kx) = e . _ 2irh AE > > Se. .113).3: Application of test functions to formula (10. Schwabl [246]. f See E. Fermi [92].117) provides the outgoing particle current (see Example 10. (10.e.4). If we are concerned with pure scattering. '"Recall also the integral J ^ ° dec sin 2 x/x2 = TT. if p(En) varies only weakly with En. F Jo . (10.113) Use the method of test functions to verify in the sense of distribution theory the result (10. r = J E ^ W =p(£m)y|(</>n|#W|2n (10-117) The formulas (10. Then. in the article of W. (10.8 Transitions into the Continuum 193 as equal.10.115) and (10.r Z x 1 ^ ) = 4>{Q). Fermi gave this formula the name "golden rule" .t The result makes sense as long as the uncertainty AE in the energy satisfies for finite but large times t the relation . Pauli [227]. Let p(En)dEn be the number of states in the interval dEn. the transition probability into this set of states is J2Wmn(t) = fdEnP(En)Wmn(t) n •* = p(Em)2lTl{iPnlfliPm)l2t.

iknx .„I. L \3k2dkdUn It follows that T. Gradshteyn and I.b2 4 p 2 + (a + b)2 2 b _j 2pa V 1 fc Urn . x . We wish to know the probability of transitions per unit time into the infinitesimal angular region dO = d(— cos6)d<p around the direction of the angles (9. Then p(Ek)dEk Since Ek — h2k2/2[i. L3/2 ¥>m(x) : L 3 /2 The periodic boundary conditions ipn(xi) = fn(xi ± L/2) imply kiL/2 = ±nj7r. Quantum Theory: The General Formalism with the help of Tables of Integrals. . 2 T / ^ M. The ingoing particle flux is therefore v / L 3 ... p.^ V v 4 ) = ^ T 3 e * k ° *^ko)e*° * = — v .( 1 / 4 ) ln(l + 4t 2 ) + t tan _ 1 (2<).tan p 2 + a 2 .. ^o n . E x a m p l e 10. . and hence . dEk = h2kdk//j. which is the number of particles scattered per unit time into the solid angle element dQ with only one particle sent into the volume L 3 (since the incoming wave is normalized to 1).e " 1 * 1 = 2 lim — .194 CHAPTER 10.947. Then ^ . Ryzhik. .k. p = 1 we obtain I = . .117) for H' = V(~x) the differential cross section da _ / n V dH ~~ \2Trh) f dxV(x)e where K = k m — k n . * ^ = . .. 491. E = h2k2/2fi. with n . .4: Differential cross section from the "golden rule" Obtain from the "golden rule" (10.? 2TT / L \3k2dkdUn 1 /V(x). 1 .( ^ V V • < ih 2 _ i k n . .a 2 ' i that for a = b = t . formula 3. . 77^ + . Solution: We set ¥>n(x) : so that {<Pn\H'\<pm) = -^3 / d x e i K ' x V ( x ) . V +(a-b)2 a _x 2p6 7 m —^ '. Hence the result is 0(0) as expected.ln(l + 4t 2 ) + — t a n _ 1 ( 2 t ) = — tan 4t7T tTV T J-< (oo) = 1. and is obtained as ih. = ( — ) dk= 2ir (— | 2irJ k2dkdfl. . M. Hint: Use for ip„(x) a plane wave ansatz with box normalization (volume V = L 3 ) and obtain da from the ratio of outgoing and incoming particle fluxes. with v the velocity of the particles. S. 2 . ./ cfc a n p 2 +fc 2 . .<p). § We have r Jo -\p\x dx sin ax sin bx - V. K = k 0 . Jin § m = See I. = 0 .

specifically in the case of the Coulomb potential.t) = ^On(t)^(x.121) .9 General Time-Dependent Method For a better understanding of the "golden rule" derived above.122b) S e e also L.69). by which we mean without leaving the Schrodinger picture.t)^°\E^t)dE (10. Thus we assume that the eigenfunctions (fn = (x|</?n) of Ho are known. (10. . The problem is to solve the time-dependent Schrodinger equation ih^\i(>) = H\r/>). 148.^ We start from the Hamiltonian H = HQ + H'.122a) (10. (10./continuum = <San(£)</4°)(x.x)^(E'. Schiff [243].^°>(E.9 General Time-Dependent Perturbation The differential cross section is defined as da •• Theory 195 outgoing particle current x r2dfl ingoing particle current da / /i V (hko)/(lJ-L3) J dxV(x)eil where for purely elastic scattering |k| = |ko|.119) only the time dependence of HQ can be separated from the state \ip) in the form of the exponential factor of a stationary state. We expand the wave function V( x . 10. Thus we set ^(x. pp. (10.t)+ / n a{E.10. For a possible application of this result. 193. see the discussion after Eq.120) In the case of Eq. (10. we present another derivation using the usual method of time-dependent perturbation theory.119) where H' = H'(t) is a time-dependent perturbation term and Ho\ipn) = En\ipn). t) = (xl^) therefore in terms of the eigenfunctions of Ho with time-dependent coefficients. 1 rfx^°)*(x)^)(x) = 8mn.t). Here S stands for summation over the discrete part of the spectrum and integration over the continuum with the orthogonality conditions J and fdx.x) = S(E-E'). (21.

.t)dx.x. Then J d^*k(X)[ihSdn(t)cpn(X)e-iE-t/h = J d^*k{x)[San{t){En + San(t)En<pn{*)e-iEntlh] (10..122b).t) = e-iEtlhy(E.e. .126) + H')<pn^)e-iE^h}. . (10..124) and obtain ihSdn(t)ipn^)e-iEnt/h + San{t)En<pn(x)e-iEnt'h = San(t)(HQ + H')vn{*)e-iEntlh = San(t){En + H')vn(x)e-iEnt/h.122a) and (10.120).128) .196 CHAPTER 10.i) = e. Quantum Theory: The General Formalism The discrete and continuous eigenfunctions of HQ are Vi 0) (x. (10.x.iJ5 »*/Vn(x). (10. (10.t)rJ><®(E'. We multiply this equation from the left by </?£(x) and integrate over all space.E') = 5{E . t) = San(t)<pn(x)e-iE^h.. i. since f rJ>(-°>(E. into dip (10. . (10.125) where an(t) — dan(t)/dt.. / *. (10.x).„.129) . H'kn = J d x ^ ( x ) # V n ( x ) = (<pk\H'\<pn). V>(x. Next we use the orthogonality relations . dnptMrnW = { ^ _ En) (10.E').127) we obtain from Eq.123) We now insert these expressions into Eq. Observe that these conditions do not contradict Eqs. = e^E-E'^h5(E Thus with Eq.„„-.127) i n c a g e Qf c o n t i n u o u g £. f 6kn in case of discrete tp's. (10.126) ihak{t)e-iEktlh where = San{t)e-iEntlhH'kw (10. The second term on the left of this equation and the first term on the right cancel out.. ^0)(E.x. .

We obtain ih{ak°\t) + \ak1\t) + \2ak2\t) = SXH'kn(t)e^. (10. In order to solve Eq. we obtain the equations: iha[°\t) iha£\t) iha[s+1\t) = = = ••• .130) H'kn by \H'kn and at the end we allow A to tend to 1.e. i.10. (10. Here we assume (our assumption above): At time t = 0 all coefficients ak are zero except one and only one. Comparing coefficients of the same powers of A on both sides. (10. Thus first we have ak0) = const. (10. i.131) and insert this into Eq. In the first place we replace in Eq. let's say am / 0.132) These equations can be integrated successively. 0.130) This result should be compared with the Schrodinger equation (10. (10. We observe that the amplitude ak of a definite eigenfunction tpk has effectively replaced the wave function ip.133) The numbers ak = const.^ [a^(t) E h + ---} + \a£\t) + A2a£>(t) + • • • ] . since it is equivalent to the latter. Thus A serves as a perturbation parameter which permits us to equate coefficients of the same power of A on both sides of an equation.130) we develop a perturbation theory. We restrict ourselves here to the two lowest order equations.e. determine the state of the system at time t — 0. and we set ak°}=5km or ak0) = 8(Ek-Em). (10.9 General Time-Dependent Perturbation We can rewrite the equation as Theory 197 iMk{t) = SH'knan(t)e^Ek-E^h. they are fixed by the initial conditions.120). to perturbation theory in the lowest order. Now we set ak(t) = ak0){t) + \a£\t) + X2a[2\t) + ••• (10. SH'kn(ty^-E^l^\t) (10.130) along with the parameter A in front of H'kn.134) . SH'kn(t)e^~E^ha^(t).

(10.137) . whereas ak is a Fourier transform in time (a distinction which is easy to remember!). ) ' X V(x')dx'.198 CHAPTER 10.135)? The quantity ak\t) is the amplitude which determines the probability that as a result of the perturbation ^H'km the system makes a transition from the initial state m (i.135) assumes a particularly simple form if — as we considered previously — the perturbation H' is taken to be time-independent except that it is switched on at a particular time t = 0 and is again switched off at some later time t > 0. ifm{kl) = f J —oo (10. In this case we obtain from Eq.135) and (10.Emy in agreement with Eq. Later we shall discuss scattering off a Coulomb potential in terms of the so-called Born approximation of the scattering amplitude which we there write f(9. i. i.132).ml2sin2{^frn (En .136) Comparing Eqs. (10.k .111).e. (10. Quantum Theory: The General Formalism depending on whether Em belongs to the discrete part of the spectrum of Ho or to its continuum. (10.e. What is the physical significance of Eq. H'^y^"-^^/hd£. We shall see that in this approximation the scattering amplitude is effectively the Fourier transform of the potential. (10.e. ip) in the context of time-independent perturbation theory. The amplitude / B o r n is a Fourier transform in spatial coordinates. we obtain it*™ = f J—oo SH'kn{t')e^-E^'lh5mndt'.135) We put the additional constant of integration equal to zero.135) / Jo L H-frfc ~ Em)/h Hence the probability to find the system at time t in the state n ^ mis (with A-l) 22 i rjv I1 r i r IW |a(l)m|2 K ( j l = i^kl\t) = H'km e^-E^dt> = H'km 6 \nnm\ ei(En-Em)t/h -i(En-Em)t/h _ j [En-Emy 4|g. Integrating the second of the equations (10. ipm) into the state k. Equation (10. so that ihakl\t = -oo) = 0. an expression of the following type AS?) = " 2 ^ 2 / e j ( k . (10.136) we see that both "amplitudes" are Fourier transforms and look similar.

Ti. Both of these important potentials are singled out from a large number of cases by the fact that in their case the Schrodinger equation can be solved explicitly and completely in closed form. Z<i = Z) y(r) = _ M ^ . The Hamilton operator is then given by w= jt + ji_^M.2. such as the electromagnetic field (the quantization in these contexts is often called "second quantization". ( 1L1 ) We let pi.z) be the vector separating two particles which are otherwise characterized by indices 1 and 2 with electric charges Z\e and Z^e. Both cases therefore also serve in many applications as the basic unperturbed problem of a perturbation theory. The Coulomb interaction on the other hand is of specific significance for its relevance in atomic and nuclear physics.1 Introductory Remarks The quasi-particle quantization of the harmonic oscillator is of fundamental significance in view of its role as the prototype for the quantization of fields. 11. r= | r |. Angular Momentum In considering the Coulomb potential in a realistic context we have to consider three space dimensions. the position coordinate and the mass of particle i with i — 1.2 Separation of Variables.i be respectively the momentum. 199 (1L2) . The electrostatic interaction of the particles is the Coulomb potential (later we take Z\ = 1.m.Chapter 11 The Coulomb Interaction 11. Let r : = (x.y. meaning the inclusion of the creation and annihilation of field quanta).

(11. . r} representation they have the differential operator forms Setting R = (X. P = pi + p 2 . But now P2 2mo = "ip/pi 2 \mi m p2\2 m2J | = m0/pi2 2 \m\ p22 m2. /'Pi p = m0 P2 A v. p are such that as operators in the position space representation or {R. so that as expected according to Eq. The Coulomb Interaction We introduce centre of mass and relative coordinates R and r by setting R = m i r i + m2r2 • . Y. Similarly d_ _dx^_d_ dx dx dx\ dx2__d_ _m^_d_ dx dx2 mi dx\ mo_9_ m 2 dx2 etc.U7&.4).200 CHAPTER 11.3) and centre of mass momentum P and the relative velocity p/mo by setting r» . where m 0 = mim 2 . z) one verifies that j9_ = dxi_ _d_ 8X ~~ OX dXl dx2. so that as expected we obtain the expression for p in Eq. Solving Eqs. (11.4) P = p i + p 2 . mi + m 2 iTi'2 r2 = R ^ -—r.2/ mi+m2 The mass mo is usually described as the reduced mass._d_ _ _d_ dX dx2 ~ dXl d dx2 nifi^i [ ' etc.3) for the individual position coordinates we obtain ri=R+ •^ —r. (H-4) \mi m. mi + m 2 va\ (11. 2Pi-p2 m\m2 pi-p2 mi + m 2 . y.5) The momenta P . Pi 2 2mi(mi + m2) and P2 2(mi + m 2 ) Pl"»l + pjmi 2m 2 (mi + m 2 ) (P1+P2) 2 2(mi + m 2 ) P2 f f l 2 Pi P2 ^ 1 1 7 ^ 2mi(mi + m 2 ) 2m2(mi+m2) mi + m 2 ' . r = ri-r2 mi + m 2 (11. Z) and r = (x. (11.

(11. (11. Hence Hamilton's equations apply and we obtain. [Ri. ' d and 'AW OH'ATJ P = - ^ dR <9# <9r ' (ii. .= -^. Ri.+ -P.pj. Angular so that Momentum 201 ^ ^ .16) Although we write ri.z).11. r = —. (11. Pj (which in the following we write again ri.2 Separation of Variables. with M := mi + vn^R = ^ P.+ ^(r) 2(mi + m 2 ) 2m 0 (H.y.e. we mean n = rx s x.pj]=iMij. (11.15) In accordance with Eq. (11.j = x. for which we postulate the commutator relations* [ri.+ ^2-. pj. P on the one hand and those in r. etc.10) we set H = Hcm + H.12) (11. (11-14) m0 We observe that the equations of motion in R.pj.il) ""Op' i.r2) to (R. The motion of the centre of mass is that of a particle of mass M = m\ + 1712 in uniform motion along a straight line.Ri.2 It follows that p2 2 P2 n2 n2 n2 (H. 2(mi + m<i) 2mo 2m\ 2m. r) is a canonical transformation. p on the other are completely separated. The equations of the relative motion have the form of the equations of a single particle of mass mo moving in a potential V(r).10) One can convince oneself that the transformation from (ri. Canonical quantization of the classical theory implies that we pass from the Cartesian variables rj.8) and so W =777 v + 7 T .9) ft = ftcm + -^ = centre of mass energy + energy of relative motion. The canonical quantization must always be performed in Cartesian coordinates.Ri.13) * and = M ' 1V1 P = 0.Pj). Pj over to operators ?i.Pj} = ih6ij. (i. p = -W.

18) In the position space representation the time independent Schrodinger equation is therefore 2M' A fl ) + h2 2mo A r + V(r) * ( R . 9.e. —n < tp < ir. Thus the two-particle problem is practically reduced to an effective oneparticle problem. V(r) = V(r). (11. i.24) . where Hcm$(R) = and Hip(r) = with ^total — ER (11.r).17) (11. 0 < 9 < ir. (11. r ) = J E t o t a i*(R.21a) L*-+v{r)] ip(r) = Ei/j(r) (11. In these coordinates we have /\rip 1 d r2 dr \ tdil> dr + r2 sin 9 09 \ S m 1 d_ .r) = *(R)V(r). df\ 39 J + 1 d2i/j r2 sin2 9 dip2" (11. = rcos9. 0 < r < oo. The Coulomb Interaction nc H = 2m.22) If.19) For stationary states with energy E the equation possesses a complete system of eigensolutions * which can be written tt(R. it is reasonable to go to spherical coordinates r. ip: x z = r sin 9 cos ip.23) y — r sin 9 sin tp.Q 2M' + V(r).21b) + E. as in the case of the Coulomb potential. 2mo (11.202 CHAPTER 11. to that of the Schrodinger wave equation h2 Ar + V(r) tp(r) = Eip(r).20) r2MAR_ $(R) = ER*(R). (11. (11.

(11.2.e. k an anticlockwise permutation of 1. (l + .j. 2 1 9 / 1 9 .28) ._0di})\ x We now demonstrate that 1.31) . (11. that the above expression follows from l:=rxp=-ift(rxV). i. i( i. = 0. with tijk — + 1 . n ( . = —1.3. i—>0 (1L25) (11. j .i ' . where (r x p)j = ^eijkrjpk.27) We can now write (see verification below) p V = -h2Ar^ where 2.k a clockwise permutation of 1. is the operator of the relative angular momentum.1 it is shown that pr is hermitian provided lim n/>(r) = 0.2 Separation of Variables. Angular Momentum 203 We can rewrite this in a different form by defining the operator * : =-«. We have I2 = (r x p) • (r x p).5r = .3.26) However. = (p2 + ^ V (r + 0). k = 1.12 — I2. _ h2 \ . (11.A fc2! d ( d^ ^ = _tfU2dA r\dr and (compare with Eq.29) .24)) 2 + M\ d dr2 J = -tfL^(r^A\ r2 dr\ dr J d2ip (11.)In Example 11. (11.32) (11.3. otherwise. . if i.33) i.j.pr]=ih.11. the operator —ihd/dr is not hermitian! The operator pr obviously satisfies the relation [r. (11.2.2.

ihr • p r2p2-(r-p)2 < + ih(r-p).40) (11.36) It follows t h a t (note the part defined as —5) l2 = = ( r 2 p 2 . (11.42) (11. (11. Eq. ih6jkrjpk (11.j.41) o = r pr.204 It follows t h a t 2_^£ijktij'k' i CHAPTER 11.25)) r • p = —ihr • V = rpr + ih and hence 8 = (r • p)(r • p . (11.44) .(r • p ) 2 + 3ih(r • p) . The Coulomb Interaction = &jj'&kk' — Sjk'Skj'. * ' -S Since r =xz we have (cf.15) we have fjPkTjPk = fj(rjPk and TjPkTkPj = = rjPkipjrk rjPj(rkPk + ihSjk) = TjPkPjTk + ~ ihSkk) + ihrjPj. (11.37) .k ~ rjpkrkPj)- (11.39) + ih).ih) — rpr(rpr With Eq.34) W i t h this we obtain — keeping in mind the ordering of r and p — I 2 = 5 Z eijkrjPkeij'k>rj>Pk' = ^{rjPkrjPk i.27) we obtain r{prr)pr = r(rpr . (11. (11.k Using Eq.38) + y* + z .ihr • p ) .35) j.43) r2(p2-p2).ih)pr and x 2 2 9 9 2 2 Q O (11. r— = r • — or or (11. This means that l2 = so that 9 9 1 (11.ih5jk)pk (11.

<p))ril>(r. <p))r2drdns % J r or r<t>(r. (11.Q ' 2mor2 with the condition (11. <p)*Pri>(r. <p)* .2 Separation of Variables.e lim rip(r) = 0. or J .d.6. 0.- h f l d —(r<l>*(r.[ 4>(r.e.[ i J With partial integration with respect to r this becomes (<l>. i. (pr4>.6d0dip. prip) = = I <j>{r.e.1 Separation of variables We deduce from the expressions of H and l 2 that [H. <p) d °° .7r].26). i.e'iP^} .<p G [0.47) Example 11.— (riP(r.2.! /').<P) = Etl>(r.11.e. 8.<p) (11. r := |r| : lim rip{r) = o i ..<p))drdns. The Schrodinger equation of the relative motion can therefore be written V1 V 2m. r—>0 il>(r. 6. Then {<j>.1: Proof that pr is hermitian Show that if Vv lipe H = C2(R3). pr = . H 1 2mo pi + K) +V(r).46) (11.48) . (11. <p)r2dfls = .45) oe Thus in Eq. reR3. ¥ p)r 2 drdn s = (p r 0.28) and (11. <p)*rip(r} 0.ip) = (<£.2TT]. 9. ip 6 X>Pr C 7i.Pril>) J / r= dQs rcj>(r..<p)*-?-(ri. S o l u t i o n : Set d£2s = sin. 11.l2} = 0.e. Pri/Oi V0.e.30) I2 is to be identified with the square of the angular momentum operator. (11.6l.(r.<p)drdna " r r=0 J \ll§r~(-r4'(r.30) yields l2 = I2 = sin sine— BinO-^r 09 + d^2 (11. 6. Angular Momentum 205 Comparison of Eqs. 9 € [0.d_ r dr the operator pr is hermitian. /'(r-.

3 . y.3 Representation of Rotation Group Our objective now is to develop a representation of the rotation group in analogy to the energy representation of the simple harmonic oscillator.lz]=ihlx. [lyA = 0. for any two of the components there is no common complete system of eigenfunctions.pz]x = ih(xpy . z we have altogether [lx. (11. i. Since 1 = r x p . |/z> *xJ = l <i\}ylx + tx'j/Jj [h. However.49) By cyclic permutation of x. zpx] + [zpy. Example 11.51) (11. 2 2 2 = 0. we have [h.lx] = ihly. We therefore first search for a complete system of eigenfunctions of l 2 . [ly.e. zpx . i. 11. H and l 2 possess a common system of basis eigenvectors.ypx) = ihlz.xpz] = [ypz.2: Verify that [h.52) This means that l .l2} and correspondingly [lx. and this implies in the terminology we used earlier that their determination cannot be "sharp" simultaneously. ly] = [yPz ~ zpy. The Coulomb Interaction i. We can now proceed as in the case of the harmonic oscillator and determine their eigenfunctions. (11.e.ly]=ihlz. so that [lz.qj]=iheijkqk S o l u t i o n : This can be verified in analogy to the preceding equations (i = l .50) Thus the components of 1 do not commute pairwise. ?3 = z).53) Either of these operators is the hermitian conjugate of the other. xpz] = y\pz. In order to determine the eigenvectors of the operators l 2 and lz one defines l± = lx±ily.e. These operators here play a role analogous to that of the quasi-particle operators .lz (or l .206 CHAPTER 11.q2 = V.ly) are simultaneously "sharp" determinable variables and hence have a common system of basis functions. g i = x. (11. (11. z]px + py[z. 2 . [lz.l2] = 0.lx or l . they are incompatible variables. ly\ — —tfi(lylx + Ixlyji [hi h\ = 0.

54) l 2 = \{l+l~ + 1-1+) + ll = l+l. A^ in the case of the linear harmonic oscillator. i + ] = [l2.+ ll.3 Representation of Rotation Group 207 A.* Thus we have (1 being a bounded operator) lz\l) = l0h\l) Then from Eq. l-\l) is eigenvector of lz with eigenvalue (IQ — l)h. in particular one defines \l) € CKj as eigenvector of lz with the largest eigenvalue lo.51).54) On the other hand we obtain from Eqs. Hence we must have Z+I0=0. (n.).l)hl-\l). (11.52): 0 = [ l 2 . since lz is hermitian.61) But lo is by definition the largest eigenvalue of lz.60) Similarly for l+ with the help of Eq. Therefore (lo + l)h cannot be an eigenvalue of lz. [ig.57) i. (11. We write or define: |/ .49) we obtain the following relations: [iz. (11. In the present context the operators are called shift operators for reasons which will be seen below.i-] = -m-. .62) 'At this stage it is not yet decided whether IQ is an integer or not! But we know that IQ is real.i+] = m+.54): izi+\i) = (i+iz + i+h)\i) = (lo + i)ta+\i).54): lzl-\l) = {l-lz . With the help of Eq. (11. Similarly we have lg{l-)2\l) and more generally lz(l.11. (11.59) = 9) h(l0 -r)\l-r). (11. (11.55) One now defines certain ket-vectors as eigenvectors of lz which span the space "K\ of the appropriate states. y .Y\l) = (lQ-r)h(l-Y\l). assuming a finite dimensional representation space. (11.h~lz(11-56) (11. and with Eq.r) (11 = {l0-2)h{l-)2\l) (11. [i+M = 2%iz.Z_] = [ l 2 .l-h)\l) = {l0 .e. (11. (11.58) {l0 : max. (11.r) := (Z_)r|Z) so that lz\l .

66) It then follows from the second of relations (11..e.e.60) = Vli\l) = l0(lQ + l)h2li\l) i0(io + l0(l0 + i)h2(i. l-\l) is also eigenvector of l 2 with eigenvalue Zo^o+l)^ 2 .\l-l). (11.+ i2z (1-1+ + 2izh) + 1 \ \i) = (izh + ti)\i) i0(i0 + i)h2\i)..68) .208 Thus for l 2 we obtain: V\l) ' = 11.\l-r) terminates at some number (let us say) r = n (n a positive integer). [12.h)\l-n) {(lQ-nf-(lQ-.64) we obtain on multiplication by Z_: l-Vl-\l) and more generally l2(f-)P|J> (11.67) i (11 60) = But according to Eqs.63) + l ) ^ 2 . i.n) (1 = 60) {l-)n+1\l) = 0. (11.. Eq.56) CHAPTER 11.Z_] = 0.65) We assumed that "Ki is finite dimensional so that the sequence of eigenvectors of lz.e. i. i. (cf.54) (n = 57) (11. (11. (11. IQ(IQ 1 0 (11.n). \l).y\i) l)h2\l-r).n)}h2\l-n).55)) we have 12Z_|Z> = l. l-\l .56) that l2|/-n) = (11 6) (l+l-+l2-lzh)\l-n) (ll-l. Since l 2 commutes Hence |Z) is eigenvector of l 2 with eigenvalue with l_.+ 1-1+) + l2z\l) = -i+i. (11. The Coulomb Interaction (l+l.. (11.From Eq. (11.e.65) for r = n: l2\l -n) = l2(l-)n\l) = lo(lo + l)h2\l . (11.60) and (11.l2\l) = l0(l0 + l)h2l-\l).64) i.

Satchler [38]. lz\l. y/(l0±m + l)(l0^m)h..m) with — lo<m<lo2 (11.70) they satisfy the eigenvalue equations (with m = l0Jo l.65) these are eigenvectors of l with eigenvalues Zo(^o + l)h2. p.---...1). lz) are then: (l. Vol.-Z 0 ).1).m).g. m + l)h. A.m±l\l±\l.n){l0 .m\lz\l.n .. (IQ — l)h. —loh..m .l)h.m) — mh\l.m) = IQ(IO + l)h2\l.. y (lo . In the following we consider primarily the case of integral values of IQ. According to Eqs. . The normalization factor in Eq.n) 2 .70) According to Eq. (11.63) and (11. M.e...m). We therefore write the 2/o + 1 orthonormal vectors: \l. (H-71) These expressions should be compared with the corresponding ones in the case of the harmonic oscillator. II. As in the case of the harmonic oscillator we introduce normalized basis vectors..m) = = = = y/lo(lo + 1) — m(m +l)\l.lz transform the vectors \l).-l0): l2|Z.11.m) = mh\l. 24. The operators l+.l)h \/(lo + m + l)(l0 . R.. where lz\l. (11. \l — n) into one other. The basis vectors \l).69) Prom this it follows that IQ must be either half integral or integral.l_. The phases are chosen such that§ l+\l. -lo = l0-n..m) = = mh.{lo . p. (11. \l — n) are eigenvectors of lz with eigenvalues loh.m) (l. | U o .. i.m). We write these* for integral values of IQ: \l. The dimension of the representation space is therefore n + 1 = 21Q + 1.m) : |Mo).3 Representation of Rotation Group so that with Eq. *D. (11.m)\l.n)} = (l0 . The nonvanishing matrix elements of 1 = (l+. § See e.m / + l)h .71) can be established in analogy to the method used in the case of the harmonic oscillator.67) we obtain (observe IQ(IQ 209 + 1) = —lo(—lo — 1)): *o(*o + 1) = Wo . 17.|2. Brink and G.. lQ = -. we skip this here.m y/lo(lo + 1) — (m — l)m\l...l-.. (11. Messiah [195].m + 1)(Z0 + m)\l.m) l-\l.

where IQ = 0.74) can be separated: 1 d sin 9 36 2 1 sm6— 89 j — sin 0(9) = h(l0 + 1)0(9). (11.1. In these coordinates we obtain: h l± so that -h2 = xpv .. —lo + 1 . /o.<p). -ih d_ dip' lx ± ily = ±he^ d I ^ ± zcotfl-^ .76) d2 (11. (11. The Coulomb Interaction Z+|Mo> = 0.77) $((p) = m2<b(y).72) In view of the spherical symmetry it is reasonable to use spherical polar coordinates r. We now perform the analogous procedure for the angular momentum or. i. for which the eigenfunctions \ip) are given by l2 l0(l0 + i)h2\ip).4 Angular Momentum:Angular Representation In the case of the harmonic oscillator we arrived at the position or configuration space dependent wave functions by considering the position space representation of states.e.73) 1 d d sm0 06 \Sm9dd) + (11.2. We . with i2Y£{e. d2 sin2 9 dp2 _' (11.yp. ip) = e(9)$((p). . . .. l_\l. and m = —IQ. 11. CHAPTER 11. as above.<p) = i0{io + lzY£(0. as remarked earlier.-l0)=0. as this is sometimes described.<p) = i)n2Y^{e^)..75) the variables contained in the expression (11. for the simple "rotor".. . 9. $ oc eim*. mhY£(9. ip.74) We choose the eigenfunctions of l 2 and lz as basis vectors of the ("irreducible") representation. (11.With the ansatz Y(9. dp Without prior knowledge about the integral nature of IQ and m we can show that indeed these have to assume the integral values derived above.210 Then.

77) and o these are determinable by the requirement of uniqueness of the original wave function and its square integrability.r o ) ! YT{e.=o m=-l sin 6 The connection of these hyperspherical functions with the associated Legendre functions P™.<p) Jo = 6mm'5w.V>)Yir'(8.\ = W .76) and (11. orthonormalized system of eigenfunctions.ypx = -tfr-K-(11.81) V l07T V47T y? = Y? = One should note that the functions Y™ are square integrable only for the given integral values of m and I.* ? ^ .0) is real and positive.n>).80) y? Furthermore Y°l = V^fcosO).^ = *(n .82) . m > 0. These functions are defined in such a way that they are normalized to unity on the unit sphere.(5cos 0-3cos0). is given by (2Z + l ) ( Z . / 3 / 5 J — casO.t»'\Y7n((l'.(p) are called spherical harmonics.11. The functions Y™ satisfy the orthonormality condition dfilimT' = / Jo < W sm8d9Yr(9. and that their phases are such that Yt0(0. (11. (11.<p) = (-iy 47r(Z + m)! In particular for m = 0: 1/2 PI11 (cos 6)eimi?. (11.i». Uniqueness implies immediately that m has to be integral. (11.4 Angular Representation of Angular Momentum 211 observe that Z and m define the eigenvalues of Eqs. so that im(ip±2ir) The functions Ylm(8. We mention in passing that in spherical coordinates d lz = xpy . y2° = \ (3cos 2 0--1) 2 V V 4vr V 16?r 3 W—.79) . This is the case if one demands that l 2 and lz possess a common complete. (11.78) and the completeness relation oo I ' YrVMYTVrf) = °^~' ± J2 Y7n*(f}.

(11.212 CHAPTER 11. The associated Legendre functions or spherical functions PJn(x) satisfy the differential equation (1 ...2(m + l ) x i f + [1(1 + 1) . Consider the equation for Pi(x). i=0 (re lowest power > 0).x2)Pf .88) we obtain for every value of x ^2 ai(K + 0( K + * .1(1 + l)]xK+i = 0.83) Their connection with the Legendre functions Pi (x) is given by the relation pr{x) with the differential equation =-£^ Pi{x) (iL84) (1 . i. i. i.2xy' + 1(1 + 1) 1-x The number m must be an integer already for reasons of uniqueness of the wave function.e.l)xK+i~2 i .87) we obtain the equation (1 . oo (11. It is instructive to pursue the appropriate arguments. f.g. If we did not know yet that I = IQ = an integer > 0.1. Setting y = (lx2)m>2Pr(x) m .2xy' + 1(1 + \)y = 0.90) . (1 .2xP[ + 1(1 + l)Pi = 0. (11... i..x2)y" .e.e.86) y = 0. respectively. 22 (11. of Ytm. For the solution we use the ansatz of a power series. (11.h.89) Inserting this expansion into Eq.d.m(m + l ) ] i f = 0. The Coulomb Interaction The number I is referred to as the "orbital quantum number" and m as "magnetic quantum numbed.88) y = ^aiXi+K. exp(imip).m = 0. the designation s.2. (11. is also in use. we would now have to search for those values of I for which the solutions are square integrable. Instead of the values I = 0.x2)P[' . in the replacement ip —> if + 2-K..p.e.Y^O»[(K + i)(/e + i ~ 1) + 2(re + i) . (11.85) (11.x2)y" .

these are of little interest to us here. . For \x\ < 1 we can obtain from this the coefficients of a convergent series.29)) 2 fe2l 92 Pr = -& r -7Tororz We set (11. For the solution in accordance with (11.*" 11. Eq. (11. Schmidt).46)) p.5 The Radial Schrodinger Equation for Hydrogen-like Atoms For i = 0. We have therefore (multiplying Eq.78) to be square integrable. Comparing the coefficients of xK+3 we obtain aj+2(K + j + 2){K + j + 1) = OJ[(K + J)(K + j + 1) . but also those for a different series for |a. (11. .94) ^For further details see H. l 2 and lz are the solutions of the Schrodinger equation of the form (11. (11.1(1 + 1)].| > 1.92) This is a recurrence relation.11.26)) yi(r = 0) = 0. Eq. Murphy [190].93) where Xl(r) is the solution of the radial equation (cf.91) from which we deduce that K = 0.1. ai(re + !)« = 0.E Xl(r) =0 (11.94) from the left by r) h2 d2 h2 2 + H! + \)-IL. We see that this happens precisely when I is a positive or negative integer or zero. they have to be polynomials (recall the orthogonalization procedure of E. Margenau and G.95) Vl = rxiThe hermiticity condition for pr then requires that (cf.96) + V(r) .2 + 2mo dr 2mor V{T)-E Viir) = 0 (11. l(l + l)h2 _2mo + 2m. (11. (11. However.Qr2 with (cf. (11.5 R a d i a l E q u a t i o n for Hydrogen-like A t o m s The common set of eigenfunctions of the operators H. first line of Eq. when the series terminates after a finite number of terms.1 we obtain by comparing coefficients QOK{K 213 — 1) = 0. p. M. This is precisely the case. 93.

r m0 = meMp me + Mv (11. L i + + . We assume that V(r) has at r = 0 at most a singularity of the form of 1/r. i. In order to verify this behaviour we set <VflV>r> yi(r) = rs(l + air + a2r2 -\ ).96). (11. since it satisfies neither the condition yi(0) = 0. nor the condition of normalizability for l ^ 0. oo) of a one-dimensional space.214 with CHAPTER 11. which behaves like 1/r1 in approaching r = 0. This applies to the Coulomb potential but also to Coulomblike potentials like screened Coulomb potentials or the Yukawa potential. Obviously the irregular solution has to be rejected. and others.96) can be shown to possess a regular solution there which behaves like rl+1{\ + 0(r)) in approaching r = 0. Jo Jo We thus have a problem similar to that of a particle of mass m in the domain (0.98) 2mo e2 _ 1(1 + 1) yi = o e+ 2 y'l + h r r2 2m0E e = (11. Equating the coefficient of 1/r2 to zero. and substitute this into Eq.1)). (11. In these cases the behaviour of yi near the origin is dominated by the centrifugal term and thus Eq. The equation also has an irregular solution.101) 2 r ^ We set | 6 = ( _ e ) 1 / a = ( = (11. We now consider the hydrogen atom with V(r) — —e2/r (i. Z\ = Z2 = 1 in Eq.e. The wave function of the relative motion is the solution ^(r) of the equation -A 2mo Here •4>{r)=Ylm{eM and Vl(r) (11.e.99) e ip(r) = Eip(r).102) .-1. The Coulomb Interaction (11. s = 1 + 1. In the first place we investigate the behaviour of yi in the neighbourhood of the origin. (11. we obtain the so-called "indicial equation!'' -s(s .97) / r2dr\Xi(r)\2 = / \yi(r)\2dr.1)+1(1+ 1) = 0. an analogous consideration applies to hydrogen-like atoms like. He + . for instance.100) with (11.

105) 11.6 11.6.e. *The factor 47reo appears in SI units.104) W i t h these substitutions we can rewrite Eq.88.105) we obtain the equation for V[(x).105) t h a t for x —• oo there is a solution behaving like exp(—x/2).103) °y moe2 ( = 0.106) W i t h this ansatz we separate from the solution the behaviour around the origin as well as t h a t at infinity.108) This equation has the form of a confluent x$" + (6 . (11. . We set therefore Vi X J. hypergeometric (11. T This equation is known as Whittaker's equation.107) equation.e.e. behaves there like xl+1) extended to an exponentially decreasing branch at infinity. W. d2 x—j 1 + (2l + 2-x) ax d j dx (/ + 1 .+-if>-x/2 vi(x). (11.v) vi(x) = 0. p. It remains to determine the function vi(x) for a complete determination of the solution. (11.6 The Discrete Spectrum of the Coulomb Potential 215 For E > 0 the solutions oscillate in the region r — oo. We set x — We set as Bohr radius* a = and 1 v = rea rriQe ft V (47Fe 2KT. (11. Magnus and F. Oberhettinger [181]. (11. Inserting the ansatz into Eq.a * = 0.100) as^ d2 dx2 1(1 + 1) x v___\ 4 2/1 = 0.x ) $ ' . see e. i. (11. i. (11.g. for E < 0 they > decrease exponentially.11.529 x 1 0 " 1 0 meters) 1 V/2 e2f hc\ m0c^1/2 2E 2moE J (11.1 Discrete Spectrum of the Coulomb Potential T h e eigenvalues Here we are interested in the solution which is regular at the origin (i. We can see from Eq.

! ) ! = imlFI' c a l led inversion or reflection formula. are very strict in reserving the factorial exclusively for positive integers and the gamma function for all other cases. (11.e.106). meromorphic function.J. called dupZication formula. particularly pure mathematicians. (11.z) = ^f^. However. and hence the *Some writers. it is convenient to use only the factorial notation. The Coulomb Interaction The regular solution of this equation is the confluent hypergeometric series (also called Kummer series) 1 . more precisely. with many of these around in some calculation.216 CHAPTER 11.109) In our case we can write the series The expression* r(x + l) = x\ is the gamma function. (4) r ( i ) = V5F. and for both cases. since the exponential function (generated by the infinite series) would destroy the asymptotic behaviour of the wave function which we separated off with Eq.1/2)!. (11. ^ ( 2 ^ ) ! = 2 2z z!(z . (5)r(n + l ) = n ! . i. 02z-l / i\ (3) r(2z) = — ^ r ( z ) r ( z + . the factorial for an arbitrary argument.z(z-l)\ = z\. + ' ' ~ 6 1 ! + 6 ( 6 + l ) 2! + Z. (--z)!(z . The function T(z) is defined by the integral /-co T(z) := / e-Hz-ldt. In general the function $ is an infinite series and behaves at x — oo like » x-{l+l+u)ex_ Obviously such a series is useless in our case. .112) The gamma function is a nonvanishing analytic.(0_i)!(6 + n -l)!n!' (11. (2) r ( z ) r ( l . of its argument z with simple poles at z — —n and residues there given by (—l)"/n! as may be deduced from the property (2) above.111) Important properties of the function T(z) are: (1) zF(z) = T(z + l).

This number is equal to the number of finite zeros of the radial part of the wave function (excepting the origin).114c) (Recall that for an arithmetic series a + (a + d) + • • • + (a + (n — l)d) = na + n{n — l)<i/2. i. every n. if the series terminates for certain values of u.e.e. This is achieved..I) r(v-l -p)sm{n(i/ -I .» • » • » . the orbital or azimuthal quantum number I can assume the values 0.) 'Observe that with property (2) of the gamma function we can re-express the ratio of gamma functions in Eq. for z.11.a " \ 2moE we obtain the energy spectrum of the discrete states with angular momentum I ie t m0e2 / 1 N1/2 * = - ( s ) ' ^ . which is thus seen to be a consequence of demanding the square integrability of the wave function. Eqs. i. . For every value En..113) This is a quantization condition.2.V))T(v . in our case: a = 0.6 The Discrete Spectrum of the Coulomb Potential 217 latter would not be square integrable. With (cf.v) T(l + l-v) _ ~ -K sin{7rQ/ . i.. must be a polynomial. .110) as follows: T(l + 1 + p . 1 .p ) } n (-l)Pr(^-Q n'\ K T{v-l-p) ' (n'-p)!' Note that 11 + 1 is the number of possible orientations of the angular momentum vector 1 with respect to a preferred direction. . and so to the number of different values of m.101) to (11. n' = 0 . (11. The degeneracy of the levels En is therefore of degree* n—1 1=0 n—1 V(2Z + l) = 2 V Z + n = 2^(n . 1=0 (11.1. The quantum number n' is called radial quantum number. (11.1) + n = n2. One defines as the principal quantum number the number n. • • • • <»•»*> It should be noted that the magnetic quantum number m does not appear in this expression. . .e.104)) 1 n =v = K. = n = Z + l + n'. d = 1.. which are also described as its nodes. Thus the infinite series must break off somewhere. 2 .1) + n = n(n . (11.

. I = 0 to n = 2.1 = 0 (called sharp series... 11. hence s). The Coulomb Interaction E=0 degeneracy lEl 3 31s 21s 33p 23p 3 5 d 9-fold IE I 4-fold IE I 1 1 1s none Fig. ' O n e describes as Lyman series the final state with n = 1. (c) The nucleus was treated as pointlike and not as something with structure.1. nf .'. . from n. I = 0.218 CHAPTER 11. / = 1.1 = 1 (called diffuse series.. The spectrum of the hydrogen atom thus has the form shown schematically in Fig. np. from an initial state n > 2.'. where the superscript 21 + 1 at the top left of I gives the degree of degeneracy.4. hence d). ne. hence p). The above treatment of the hydrogen atom has obvious shortcomings: (a) The hydrogen atom was treated nonrelativistically.d.. 11.l = 2 to n = 2.1 = 1 to n = 2.. and hence the fine structure of the energy levels is excluded. nd.\ I = 0 or 1.. . 2 .. The following spectroscopic description of states is customary: nl —> ns.1. 0. relativistic corrections are of the order of v2/c2 ~ 0(En/moc2) as we illustrate in Example 11. (b) The spin of the electron was not taken into account..1 Hydrogen atom energy levels. One describes as Balmer series the final state n = 2. and from n.§ One also writes n2l+1l. from an initial state n > 2. respectively. stand for I = where n denotes the principal quantum number and s. .1 = 0 (called principal series.p. .

Thus Messiah [195] defines the original or stem Laguerre polynomial as : >Lr(z) = *L°r(z) = e'-^(e-'zr). • ( .11. k + l.115) is effectively the associated Laguerre polynomial normally written Lk(z). p.{z) is the associated Laguerre polynomial as normally defined and mostly written Lr (z). Ryzhik [122]. Each can be recognized by reference to the generating function. 2 . (11. . W. With the help of Eq.6.r f . Apart from factors.2l { + 2.115) ' =0 (ri . for instance. Unfortunately.118a) where Lk.1. "1'f„+11" P] „. and I.p)\(2l + 1 + p)\ The spectrum (11. We mention here three different definitions used in the literature. so that one always has to check the definition.r = 0 .2 (11. Magnus and F. S. the polynomial contained in y\ of Eq.114b) yields the binding energy of the states.x). .414(3). several different definitions are in use. (11. Messiah [195].110) is usually re-expressed in terms of orthogonal polynomials known as associated Laguerre polynomials. . Gradshteyn and I. 844. • (11. p.2. .115) we can re-express this function as Lr{z) - r\k\ p=0 \* p\ (r-p)!(fe+p)!- (U -118b) ^This definition of *LJ? is used by A. Appendix B.117) The function *Lk(z) is a polynomial of degree r. For clarity and later use we denote the function used there by its normal form L^. (u. .= t . M. Unfortunately the definition mostly used in mathematical literature differs. Oberhettinger [181]. formula 7. • fc. a + 2:*) = t v . The mass of the hydrogen atom is given by massif = Mp + m e + E < Mp + me. We distinguish between different definitions in use.6 The Discrete Spectrum of the Coulomb Potential The associated radial wave function is yi(x) 219 = xl+1e-x/2<f>{-n'.z) = (r + k)\ Lkr(z). in fact. (11. 11. Vol. see. I.116) Laguerre p o l y n o m i a l s : Various definitions in use! The polynomial obtained by terminating the hypergeometric series (11. l . 84. however. it is given by^ *Lkr(z) = ^ ^ f 1 *i-r. 3 .

3): e-2t/(l-t) (1 . The generating function of the associated Laguerre polynomials — obtained by searching for an integral representation of the solution of this differential equation which is of the type of a Laplace transform — is for |i| < 1 and expanded in ascending powers of t (cf.t) + k l r)! E E (-zY (i +(fc +h)\(r-i)\ i\ r=0 L OO p OO i=0 E (k + r)\ *L (z) = J2L ( y.3 we show in a typical calculation how this normalization condition can be obtained with the help of the generating function. 162 .„M„ z"*L. It is said that this is the definition preferred in applied mathematics. Vol. ^ F o r this definition and the following equations we refer to I. There at some points n + 1 is misprinted n + 1. and Ll(z) = l. Ll(z) = 3-3z + ±z2.z . Sneddon [255]. L2(z) = l-2z + -z2. Sneddon [255].121) In Example 11.„\*Kk.(z)*L TJz)dz 3 = KP + kV-}Opqit Jo (11. . The Coulomb Interaction The differential equation of the associated Laguerre polynomials is (same for *Lk{z)) d2 .164. Appendix B. Example 11.2. N.120) ' r=0 It will be seen that the orthonormality condition is" z e--zJc*Tk..119) dz dz In particular one has (we cite these for later comparison) LQ(Z) = 1. r r Z r=0 v tr k k (11.122) "See A. pp. . . I. N. p. which we write ^Lk. L\(z) = 2-z.d z—^z + {k + l~z)—+r Lkr{z) = 0. L1(z) = l . Messiah [195]. (11. The reader is there warned that '•'•care must be taken in reading the literature to ensure that the particular convention being followed is understood'.1.. is defined by^ dk (—'\\k(r^\2 (11. 163. For our purposes here it is convenient to refer to yet another definition of the associated Laguerre polynomials.220 CHAPTER 11. **I.** The associated Laguerre polynomial here.

The generating function of the associated Laguerre polynomials so defined is (observe (—t)k as compared with (11.122) we see that tLkr+k(z) = (-l)k*Lkr(z) = (-l)k(k + r)\Lkr(z).118a) and (11.4 + 2z.121).6 The Discrete Spectrum of the Coulomb Potential The differential equation of these associated Laguerre polynomials is** z 221 ~r^z + (k + l-z)-— + dz dz d2 n .. and partial integration.124c) Example 11.124a) (i-*) pi The orthonormality condition is (cf. (11.120)) i-t)k& zt/{l-t) ~*P p=k fc (11.3: Generating function of Laguerre polynomials With a Laplace transform ansatz for the solution of a second order differential equation like Eq.107) implies k = 11 + 1 and r = n + I. (11. '"''Comparison with Eq. N d r-k 0. Example 11. ^L2(z) = 2 . Jfpd>2s{p))e-ptdp.1 . i L1(z) = l . Solution: We consider the following equation of the form of Eq.11..123) For the purpose of clarity and comparison with the polynomials of the other definition it may help to see that here in particular % ( « ) = !. ..120).% ' ( * ) + by{t) = 0 with ansatz y{t) = I s(p)e~ptdp. Then..119) derive the generating function of associated Laguerre polynomials (11.4z + .119): ty"(t) + (a + 1 . ^L\(z) = . and obtain with this the normalization condition (11. *L\(z) = .124b) Comparing Eqs. (11. with y'{i) = — / ps(p)e~ptdp ty'(t) = -t f ps(p)e-ptdp-p2s(p)e-pt s(p)e -Pt J ^(ps(p))e-ptdp.1 8 + 18z 3z2.z . (11. (11. The limits will be determined later. (11.8): (11. and *L\(z) = .

we insert this contour integral representation of the polynomial in the following integral and obtain __?(_) = P da <* . j p = (P 0 "V?. Then dp = dq/(l-q)2. s bK> (l-q)°+i (11./ ( l — <?) —— = G(t). agreeing with Eq. Thus in the case of Eq. n! (6 — n)!(a + n)! An alternative integral representation is obtained by setting p = q/(l — q) or q = p/(p + 1).] from the above equation: C(p) := p(p + l)s(p)e-pt = 0.) 2 J J p 6 + i ( l . since for n > b : (b — n)\ —• oo. (2) from —1 to oo.p + 1 = 1/(1 .li I u -{p(p+l)s(p)} : p(p + l)s(p) dp a + 1 b p+ 1 p(p + 1) a + b+l p+ 1 b p Integrating the equation we obtain s(p) and hence y(t): a+b+l^-b ln[p(p + l)s(p)] = In ip+ir+o+'p (p+l)a+b f (p+l)a+b The condition C(p) = 0 now implies for possible contours of integration in the plane of complex p: C(p) = p(p + l)s(p)e'pt („ _i_ -na+b+i = ^ ' e~pt = 0. (3) around p = — 1 if a + b is a negative integer..p ) « + i q c + i ( i . We demand (to be considered later for integration contours) the following condition. It follows that 1 d i I _i. Case (2) implies the exponentially increasing solution ~ e + t . which removes [.q) and P~ t ( . Case (1) with p —• oo implies y(t) ~ / dppa~1e~pt ~ t~a. t > 0. Then the preceding two equations (inserted into the original differential equation) leave us with I e-ptdp d {p(p + l)s(p)} . 2TT_ Jq=0qb+l(l-q)a+l 1 .a = 21 + 2. Hence the expression in square brackets vanishes." b + 1 e~ptdp = coefficient of pb in g(p) := (p + \)a+be~pt. e ^ t '?/( 1 -'?) = coefficient of qb in /"OO / = = / Jo Ll{t)Lac{t)tae~tdt tae-t{P/(l-p)+q/(l-q)+l)dL l t I * * [" (2TT. and (4) around p = 0 if b > 0 and integral. this is the rejected irregular solution. (11.^ .p ) o + i 7 t = 0 . with requirement of a finite solution.. . p and one has (as polynomial of degree 6. Hence one defines now as associated Laguerre polynomial L£ and as the generating function g(p) of these (Cauchy's residue theorem requires the coefficient of 1/p): L b(t) •= — <£ 27T. The Coulomb Interaction since d(p2s)/dp = ps + pd(ps)/dp.119) with a and b as there.124d) In order to obtain the orthogonality and normalization of the associated Laguerre polynomials.118b)) Ll{t) = = coefficient of pb in ^ (p + l ) a + t > n=o £ ( ~Pf" "" coefficient of pb~n in (p + ! ) « + ' ^ = /g <-*>" (a + 6)! n! —(. (11. p° Possible paths satisfying this condition are: (1) If b < 0 from 0 to oo.222 CHAPTER 11. case (3) similarly.( a + l ) p s ( p ) + 6s(p) dp 0. the only possibility is the last.

111).125a) and the factor a~ 3 ' 2 with a = Bohr radius.c (-a-l)\ d(-c-o-l)! c(c + a)\ c!a! with use of the inversion formula (11. (11. m) is 3 2 &nlm = a~ / NnlFnl (—^Y^O. where Fnl(x) = -yi(x) (11. Jo (11.125b) The normalization condition {J \tp\2dr = 1) determines Nni (which we leave as an exercise!): w "< = Ul^TW F- (1L126) It is useful to know the following integral for certain cases: InmiP) ••= l^ e-xx^k-^Lkn{x)^Lkm{x)dx.3 T h e eigenfunctions According to the previous discussion we obtain n2 orthogonal eigenfunctions in association with the eigenvalue En. f a -p)(i -1) r + 1 l (1-P9) J The coefficient here required is obtained from the expansion as .6 The Discrete Spectrum of the Coulomb Potential 223 We evaluate the integral on the right with the help of the integral representation of the gamma function.-—: <f h_nJ_-[ dp = (a + c)\ T^ if c = o.127) .—i. and obtain r tae-t[P/(i-P)+q/(i-g)+i]dt Jt=0 With this the integral I becomes = . is introduced for dimensional reasons. Clearly only the second form is sensible. and 0 if cj=b. (11.11. I. Then Nni is a dimensionless normalization constant and (note that we use the associated Laguerre polynomials as in the book of Sneddon [255]) Fnl(x) = xle-x^LZ.112). Eq. . so that I = (c + a)! 1 f . /•OO / Lg(t)£?(t)tae-fctt: (a + c ) ! .6.?).(x). 11. The wave function of the state (n.

thus on the average the electron is the farther away from the proton or nucleus the larger n is.1 + 1) (11. For the ground state (n = 1.128) These expressions permit us to obtain the mean or expectation values (1/r) and (r). (11.(2Z + 1) + 1} = ^[Zn2-1(1 + 1)]. 2 (11.! ] + (21 + l ) 2 .129) n2a' Analogously we have roo j = p2 I r n \ 2J ° J0 'V^yr nl _ na J^° xF^(x)x2dx _ na f^SJn+K 3 ) \na) na {6(n + Q2 .8):* OD - <n!>3 (n-k)\ (n-fc) (n\)3 i£ n (3) = _ . (11. The Coulomb Interaction One finds in particular (see also Example 11.130) We see that the mean value of r is the larger the larger n is.3fc + 2)..(l) n+l.v (6n2 - 6nk + A:2 + 6n .n+l na l2 ° ^ 2 na n+L+lV) (2n + 2/ . and for the explicit derivation of the second case below Example 11. + .2Z . a (r)is = ~a.224 CHAPTER 11. from which we can deduce information on the behaviour of the electron: rF"\nrg)r2dr ^ _ 2 £> n iF&ztfdx *%(*)*** 1 Jo°° Fix (-)r2dr 2 ^i + /„.131) .6(n + Z)[(2Z + ! ) .3(2Z + 1) + 2} 2 {2(n + 0 .2. 11. This behaviour is indicated in Fig.7. = 0) we have -) r /u =-.

J n 1s 2s 3s -*r Fig.134) *These are taken from I.2 1 A r = V (^2) . S. = l a nl n N'nll rFnl. Problem 5. we have and tp becomes particularly simple.132) (11.(r) = x W 2 n + 1 =.( n . i. In the case in which I assumes its maximal value n — 1. pp.j .6 The Discrete Spectrum of the Coulomb Potential r-.. v ^ V2n + 1 (11. Sneddon [255].e. In this case (r) = = For (r 2 ) one obtains < r 2 ) = n 2 ( n + ^ ) ( n + l)a 2 .l ) n ] = | [ 2 n 2 + n] an[ n + (11.11.^ We obtain therefore for the quadratic deviation (r) . This corresponds to E ~ — e2/2n2a like classically with circular radius n 2 o.133) for large r. / ! J — . or (r ) ~ n a 2 2 ^ [ 3 n 2 . \f{r ) ~ n a. In the Kepler problem of a particle of mass mo in Classical Mechanics with the Newton . 11.20. with n +1 replaced by n and 21 + 1 by k.2 I -3/2 Kl r 225 \2 1 R„.2 Hydrogen atom wave functions. 173/174.

e.e. r. but rather like classically in a plane (i. (c) The nucleus was treated as pointlike and not as something with structure. 6. In order to obtain an impression of relativistic corrections in a simple context. Solution: We have H = yjm%c4 + pIn cylindrical coordinates. \/v vT 7 v^ See also Example 14. Thus. determine the energy E by evaluating the Bohr-Sommerfeld-Wilson integral of "old quantum theory". and separating this in cylindrical coordinates r. we consider in Example 11.4: The relativistic eigenenergy using cylindrical coordinates Using the formula for the relativistic total energy E of a particle of mass mo and charge e moving in the Coulomb potential V = ~Ze/r (with E numerically equal to the corresponding Hamiltonian H for a conservative system). However.4 the relativistic equation in cylindrical coordinates. p2 = p2 + — pg • eV. Since 6 is a cyclic coordinate.3. for these values of I it is not distributed with uniform probability over the spherical surface. . the states Ytl are predominantly concentrated in the xy-plane). we have pg = const. „ _ -'Kepler — the Kepler period is given by o Z7ra 3/2 Kepler . i = 0. Thus we have to evaluate the following gravitational potential written V(r) = —mofi/r.135) This expression becomes very small for large values of n. Example 11. The above treatment of the hydrogen atom has obvious shortcomings: (a) The hydrogen atom was treated nonrelativistically. = ngh. in which periods are obtained from the Bohr-Sommerfeld-Wilson quantization condition. The Coulomb Interaction or -TT = ^ = (11.226 CHAPTER 11. i. pJ = —— and j> Pidqi = nth.— > where ampler is the length of the semi-major axis of the elliptic orbit.6.r. relativistic corrections are of the order of v2/c2 ~ 0(En/moc2). This means. identifying yj (r2) with aKeplen w e see that T K ep l e r = ^(r2)^ = ^(n2af/2 = *^a3'*n*. the electron remains practically localized within a spherical surface of radius (r). (b) The spin of the electron was not taken into account and hence the spin fine structure of the energy levels is excluded.

as also indicated in Fig. . (and subtract moc2 to We then obtain with a = e2/hc ~ 1/137. which are related to Cartesian coordinates in the following way. 11. In the case of degeneracy with respect to the magnetic quantum number m (as in the present case) one can find linear combinations of hyperspherical functions Yj^(9.T). Schiff [243]. ip are the spherical coordinates. 11. Thus E2 2EeV(r) e2V2(r) nrh = a> prdqr = ilc2 .136b) £ = r ( l + cos#) = r + z.4 Hydrogen-like a t o m s in parabolic c o o r d i n a t e s The Schrodinger equation of a hydrogen-like atom can also be separated in parabolic coordinates £. z=-^-rj). r\ = r ( l — cos#) = r — z. y — 0: V ^ c o s tp.3. where ip = 0. ( v c + i ) ..2. p. It follows that (with h = 2nK) Z2e c h?ni 2 2ixnrfr = — 27r nehtjl - Ze2E >-^m2c2-E2/c constant'. 2 2 Therefore the energy is no longer a function of n = nr + ng. the "fine structure obtain the ordinary nonrelativistic energy) Z2ei c2h2[nr + ne^jl- -1/2 E — mac + 1 Z2ei/c2h2n2] -1/2 VTIQC 1+ •+ ng^l-a Z /r.6. (11. it is possible to separate the Schrodinger equation in other coordinates. but depends very slightly on ng alone which gives rise to the "fine structure" of hydrogen lines. 86. Whenever there is degeneracy. where the constants are identified by comparison. <p = <p.V .(p .6 The Discrete Spectrum of the Coulomb Potential 227 integral which we achieve with the "method of poles at infinity" explained in Example 16. The deeper reason for this are symmetry properties of the problem.* See L. which correspond to a new choice of polar axis.d r K-mlc2 + T U^\-±-AnlK2-^Ur 2 2 \ c / r * + * ! + $*—». where r = ^/x1 + y2 + z2. (p).9. y=y/%qsanp.136a) (11.11.

so t h a t the variables can be separated. The Coulomb Interaction Fig. We rewrite the first of these equations with the help of the relation M -(w ^ - m + e) . = 0.136b) the Schrodinger equation of relative motion (11. . 1 . . a separation constant. there is really only one basic equation to solve here. 11. .22) becomes — as we show in Example 11.3 Parabolas £ = const.228 CHAPTER 11. d_ dirt) + TUQE fm0Z±Z2e2 2h2 V ^2 A V m (ri'N) Arj1 2n Since these equations are alike. 2 . In terms of the coordinates (11.3 — h2 ( 4 r d (rd^\ d_f df\~ + 1 d2xl>\ £?7 dip2 2Z1Z2e< Z+V •ip = Eip. (11. and r\ = const.137) One now sets the total wave function ip = £(£)!N"(r7)$(</?) and divides the equation by ip. one obtains the following two equations: £ ) + TJIQE A m2n | « ' m = o. Then 1 d2$ izimip $ oc e $cV = —m where the separation constant m2 must be such t h a t m = 0 . for uniqueness of the wave function. Multiplying the remaining equation by (£ + r /)/4 and setting the £-part equal to —A. with z-axis as axis of rotation.

o. n 2 = n" .114b). as well as the Laplacian A = V and the Schrodinger equation.± ( m + 1) = 0 .e. T h e n the first of the two equations becomes 1 £) n' m2 — 1 4 p + 4p" ( P 1 / 2 £ ) . 2 . . . we set (since E is negative for the discrete spectrum we consider) ITIQE =-*"• H J?P ^( <9p: 1 / 2 i m0ZiZ2e2 A = n". (11.105)) Hence we write I = (m — l ) / 2 .5: The Schrodinger equation in parabolic coordinates Perform the transformation of the metric. 2 . m0Z1Z2e2 ^ 2 = n (say). E x a m p l e 11. " . In the spherical polar case we had (cf. . p = /?£ and cr = /^r?. ph h2p2 _ h2 m2Z2Z2eA hn 4 2 _ ~~ m0Z2Z2e4 2ft2 n2 ~ 2m 0 ~ 2m 0 This agrees with our earlier formulas like (11. To obtain a closer analogy with the separation in the spherical polar case. Eq.106) and (11. We leave the calculation of the degree of degeneracy to Example 11. ds2 = dx2 + dy2 + dz2.i n +n = n i + n 2 + m + l = we obtain the energy eigenvalues given by -E = n i = n'- \(m + 1) = 0 . .6. from Cartesian to parabolic coordinates. . 1 . .11. . Adding now / .125b) (dividing by p 1 / 2 ) £ oc e . .6 The Discrete Spectrum Then of the Coulomb Potential 229 A 22 (£ 1 / 2 £) + moE 2h2 A m2 — 1 +£ - 4£ 2 (cT1/2£) = 0. (11. . 1 .' / 2 p m / 2 L 2 Z + i = m ( / 9 ) ) Analogously we have N oc e-CT/2<7m/2L™ (a). T h e n by comparison with the spherical polar separation the answer is as in Eqs. . i. .

'Recall that the sum of an arithmetic progression is given by a + (a + d) + (a + 2d) + • • • + {a + (n . Here we have (see preceding text) 711+77.g<p 9 \ . 0 there are two. and so dz = (d£ — drj)/2.2) and summing over m..136a).e. We consider first the case m = 0. for instance.1 in this expansion is seen to be n.2)d/2. Solution: For the wave functions ip = £(£)J\f(r])&(ip).136a).2 = n — m — 1 and therefore the number of the coefficient of u}n-'m-1 . > . The general formula for the Laplacian is§ ^ follows that 1 [9£\ A = ' 9 \ gr. Similarly we proceed with dx and dy.-2 . (11. dx = d{ y £77 cos ip) = . Beware! For m = 0 there is only one m-state. (11. last chapter.2d? dr)}. -\— < / — cos ipdr] — \/£r] sin ipdtp. n the double sum ]T]2 is TI — m. In the case m ^ O w e have n\ + 77. and attach a factor to to each term introduced in the wave function. Magnus and F. as t h e two signs of t h e exponential indicate.l ) ( n . i. N2 where g^dS.2 = n — 1. the total number of wave functions we have is the number n with m = 0 plus twice the number with m ^ 0 starting from m = 1.1) ~ . .114c). . The Coulomb Interaction Solution: We begin with z of Eq. 9 \ 9<p\ gv 9f\ _ 1 a2 a / a\ a / ay £77 dip2 E x a m p l e 11. / — cos ipdl. when m = 0 = 77. Thus we want to obtain the coefficient of wn~1 in £2 .e.l)a + (n . are elements of length. etc.. i. . Thus dz2 = . We then sum all possibilities and select the coefficient of ojn~1 in the result. i.E E -n l „ .230 CHAPTER 11. see Eq.6: Calculation of degree of degeneracy Show that the degree of degeneracy of the wave functions in terms of parabolic coordinates agrees with that obtained earlier for spherical polar coordinates. 2 + ^dV .* 71 — 1 n—1 n— 1 n n+ 2 E ( n ~ m ) = n +2 E n _ 2 E m= n + 2n(n . W. 2 2V? V^ One now performs the square of this and obtains similarly dy2. and one obtains 2 = _ 1 4{ £ ) * (t + 7 )\ j. Since the lines of constant £ are orthogonal to lines of constant 7 (they cut perpendicularly). {g^Y. Oberhettinger [181]. </. / J„^2 .g. Eq. We use the method of selector variables.?e 9£ J 4 t d \ g^gv 9 \ dri \ gv dr] J t d \ g^g-r. for m / . + l 4 {^^)drl f i + v \ . = e±im^e-("+^'2{par'2L^{p)L^ (a).e. Thus. 2 _ = (9id02 + (gvdvy + /„ .e. we have to find the number of values of the quantum numbers n\.tx2 . " . Observing that the highest possible value of m is n — 1 (i. (11. n 2 (1-UJ)2 The coefficient of a . 712 and m which give n. (n _ !) n = n2- §See e.[df + dr]2 . all cross terms cancel in the sum of 7 the squares. z = (£ — rf)/2.2)d} = (n.

(11. . 2(ni +712 + TO + 1) Therefore the change in energy of the state to first order is given by.—r~n = 3(m-n 2 ).a). We obtain the volume element dV in parabolic coordinates from the above results as dV = g£gvgvd£dr)dip = — (£ + rj)d£. 8. with Z\ —> Ze. fc — m..) = ^eF(p . s 0/ . Sec.r. With the help of the wave functions we derived above. Z2 —> e. with Eq. However.(p)L™ (<7)]2(p + a)dpda rev where JJ = / Jo dpe~ "p"[I. Thus e.7: Stark effect in hydrogen-like atoms 231 Consider a perturbation v = eFz. Solution: Using formulas and results of above we have to determine (v) = eF{z) = l-eF(e. . with z = r cos 9. these expressions agree with those of Eq. eF{z). (11. with Rayleigh-Schrodinger perturbation theory).11. we would have to use degenerate perturbation theory and obtain the same result.1 (cf. { 6 ni2 + 6 n i ( m + l) + (m + l ) ( m + 2 ) } . = j (2ni+m+l).9) one finds that _ = %2 jm+2 {n2+m)\ (ni + rre)! +1 : > in.124c).•* n (l) = / Jo It follows that .8 and 11. if we expressed the perturbation in spherical polar coordinates. . In fact. i.6 The Discrete Spectrum of the Coulomb Potential Example 11.™(p)] 2 By contour integration (see Examples 11.e. we now have (p-a) J dpdaip* (p — a){p + a)ip J dpdaip* (p + a)ip Jo°° Jo°° e-(e+<r)(p*r[L™ rm+2 i rm 1 n1 n2 _ Jrm+2 1rm "2 n1 (p)L™ (<r)]2(p2 - a*)dpda /o°° Jo°° e-(o+->(p<T)-[L. Ikr+k.r+k(l) = / Jo e~*xk[(k + r)\Lk(x)f = [(/= + r)\flk.g.6).{ n i {2ni + TO + 1} + {ni j=± n 2 } 6(ni-n2)(ni+n2+TO+1) ^±n2} ^7—.127) and setting n = r + k. which will then give the change in energy of that state to the first order (i. Apart from the power of the leading factorial (which results from the definition of the associated Laguerre polynomial in the generating function). (11.128). i. {p — a) — = dxe~*xkvLkn (z)] 2 . we can relate the expressions Iq to those of Eq.e.128) if one makes there the substitutions n —> n\ (or 712) + m. where F is the electric field. and determine the average value of v for a given state.drid<fi oc (p + o)dpda.eF / nh2 \ {v)=3(n1-n2)-^—lr2j Thus in this case nondegenerate perturbation theory could be used as discussed in Example 8. L ni\ ny. I.e. with the connection » (11. ( ! ^ ± ^ ) l { 6 n 2 + 6 n i ( m + 1 ) + ( m + 1 ) ( ? n + 2)} ny. . .

1 ) ! (n .3).1)! n\ This verifies the expression I™t in Example 11.1 ( n + m)!"[ _ (n + m + 1)! (n-iy J n! (ra + m)! _ (n + m)! (n .111) /*oo /*oo „ — sam+l / e~attm+1dt= (m + 1)! ds = am+2 I ' Jo For use in the following recall that Jo «m+2 {i + X)-n = ~ ^2(-ir . the integral / is the coefficient of pnqn in the expression _ / .x ( n + m)! ( n .a. and is a special case of Example 11.l ) ! ( m + l)! in the expansion of p " ( n + m + 1)! p " " 1 ^ + m)! 1 _t . c positive integers.p ) r + 2 [(l-p)(l-g)]"l+1(l-pg).g )(l.9) with the help of the generating function G(t) of associated Laguerre polynomials obtained in Example 11..3 by one power of t. _ „ . the integral arising here becomes with Eq. E x a m p l e 11.p ) ( l . (n + r . L™(t) = coefficient of qn in G(t) e -tq/(l-q) (1 .p n _ 1 ) in (n — 1)! J p"(n + m + l)! n! p n . It follows therefore that the coefficient of (qn — qn~1) in (1 — pq)~~(m~'~2' is p n ( n + m + l)! n!(m + l ) ! Finally / is the coefficient of p n p n .124d) of the alternative integral representation obtained in Example 11.^~T^—-—^ ) = coefficient of (pn .232 CHAPTER 11. The Coulomb Interaction E x a m p l e 11. dt = ds/a.pK — — —L .9 )« Solution: Using the generating function for both associated Laguerre polynomials.9 ) ] m +h 1 yJo 0 ' 1 —pP 1 -q 11-9 l-pq _ (l-9)(l-p) = a With (see Eq.8: Laguerre linear expectation value integral Evaluate the following integral (which is different from the normalization integral of Example 11.l)!r! -X We now evaluate the integral / as the coefficient of pnqn _ ( m + l)! [ ( l.9: Laguerre expectation value integrals Evaluate the following integral with the help of the generating function of Laguerre polynomials: /•oo rSc(i):= Jo dte[Ll{t)Lac{t)tae-\ i.p ) ( l . tt„:_ (1 . .9 we consider integrals with an arbitrary power of t.n+2 in the expansion of i n c o e f f i d e n t o W (m + 1 ) 1 ( 1 . In Example 11. s = at. (11.b.128).7 and (remembering the definition of the associated Laguerre polynomila there!) the second of relations (11.( m + 2 ) is equal to the coefficient of (qn — qn_1) in (1 — pq)~(m+2\ The coefficient of qn in the expansion of (1 — pg)~ M is pn(n + fi — l)!/rt!(/i — 1)!. ) (l_pg)(m+2) Now the coefficient of qn in (1 — g)(l — p<j) .3: /"OO I := Jo e-t[L^{t)]2tm+1dt. (11.0 ° e -*[l+P/(l-P)+9/(l-<j)] t m+l di) t | P | 9 l [ ( l .

l ) * x coefficient of a* in the expansion of 7 ( a ) .Pq + Q(1 " 9)(1 " P)1_a_1 = ti f p^ X COeffident f ap)]"0-1. — (c-r)!r!(6-r)! Kv.r ) ! a ' .a _ 1 = [1 + a ( l . (l-p)(l-q) + a(l -q)(l . In case (a) we have u \ 7 V^ ir fb + c\ 7(a) = Jo / Tli u. .124d) of an associated Laguerre polynomial.p ) ] .w(r) = and / a ) = r\(P ~ r .e. 7£.p ) 0 + l 9 c + l ( l _ g ) a + l ^ a ) ' where j(a) contains the integration with respect to t which may be evaluated with the help of the integral representation (11.e. we have 2r = 6 + c = even.?(t)t a e.e. i. c + b odd).111) of the gamma or factorial function. ° ^ + a ( l .1 + y w)\(-a)y (r — w)\w\(j3 — r — l)!(j/ — w)\ Special cases: (1) In the case a = 0. we have to have y + (c + b — 2r) = 1.6 The Discrete Spectrum of the Coulomb Potential Solution: One considers the following integral and obtains /£. i(a) = / Jo dttae-t{p/(l-p)+q/(l-q) + l+a} = Q .p) _l-pq It follows that (using Cauchy's residue theorem in integrating around q = 0) 1{a) = (2^ / / ^ ^ [l-pq c [ 1 .L.a f + c)\(v-r)\(l + ay-rP „ • ^0^r(c-r)\r\(a •• Ha) a\ f dp ac(c + a)\ -^ =%*??* c!a!(l + a ) ^ c + l 9 ( p ) = g J c+*-"-«a>- where with /3 = a + c + l + b (observe that for a = 0 a term with c + b — 2r = 0 remains) „_ = 2 ^ 2 ^ K «. = c (q + fe)! W ° (^)!(^)!(^)! ~" (2) In the case of one power of a. .(*) from the coefficient of a1: />00 233 1(a) = / Jo dte. Using the contour integral representation (11. c + b — 2r = l (i.^ ( l .a t [Lg(i).e.p) . (a) j / = 1. c + 6 — 2r = 0 (i. we can re-express 1(a) in the form: /(a) = (2^)2 J J p t + l ( l . i.(i) = i ! ( .11. so that = (q+fc±£)| .™( r > (1 + a)P r £^0y^w Jc+6_2r = . c + b even) and/or j / = 0.f ].q(p + a - The coefficient of q in this expression is 1 [l + a ( l -p)]a+l where f 9 / p + a — ap\c (c + a)! _ ac(c + a)\g(p) \ l + a-apj c\a\ c!a!(l + a)a+c+1' [l + ^ P ] " [1-T^P]Q+C+1 y>^ d(a + c + C . where (a+**£)! c j n Jo = .q)(l .

t We have the Schrodinger equation of relative motion of particles with charges Z\e. however parallel to the Coulomb case. is the work of J.)!' f^)-(. the standard principles of nonrelativistic scattering theory. like the asymptotic condition and definitions of the scattering amplitude and the phase shift. cannot really — and this means in a rigorous sense — be applied in this case. b\ V cited in Example 11. 2mo Here we set (this defines the velocity VQ) j? E ^ 1 (11.234 and (only w = 0 and 1 arise in the sum) CHAPTER 11.1%^ 11. . R. Since such a rigorous treatment is beyond the scope of this text. also with regard to earlier literature.7 Continuous Spectrum of Coulomb Potential In this and the following sections we consider the scattering of a charged particle in the presence of a Coulomb potential. The Coulomb Interaction b + c\ 2 J (b-¥)\(P-b-¥-w)\{-a) ($±£ -w)\w\(J3 -^±£-1)1(1-11. Zie given by h2 _ A _ ZiZ 2 e 2 V>(r) = Ei/>(r). Taylor [267].7. we consider the traditional treatment here and refer the interested reader to literature in which it is demonstrated that the derivation given below finds its rigorous justification on a basis of distribution theory. . These results are seen to agree with the expressions 1^.-^)(-. One should actually consider a screened Coulomb potential* and consider quantities like the partial wave expansion (to be defined in a later section) as distributions. In view of the slow fall-off of the potential at infinity.~* Hence (recall that 7£ c (i) = i!(—l) l x coefficient of a% in / ( a ) ) (a+^)!(-/3a) r r in (£f^)!(^)!(^±£)! t J = ( a + b)\(-(3a) > 6! _ (a + ft)! = [a + lb + l ) a . + (!±-<)«-.138) " 2 ^ =2 ° ' 2 m Uo 7 = ZtZ2e2 -^T- (1L139) * Screened Coulomb potentials are considered in Chapter 16. ^A very readable source to consult.

.141) Inserting this expression into Eq. z = rcos<9. (11. (11.142) This equation is of the form of a hypergeometric equation.140) and using (11.b.108) and (11. Our question is now: How does ipr behave for r — oo. i. .146) See. for r — oo) • ipr = Aeikzf(r .z)). In particular the equation possesses a regular solution of the form (also ip ~ exp(ikr).e.+ ^ - + .7 The Continuous Spectrum of the Coulomb Potential Then Eq. z) for \z\ —> oo? We can find the appropriate formula in books on Special Functions:* $(a. Oberhettinger [181].^ W ) = 0. where ^.M) = l + .. for instance. „ az 1.11. that we encountered previously. (11.e.z) + W2(a. W.z). a(a +1) z2 ] (11.140) The simple Coulomb potential permits particularly simple solutions. (11..138) becomes 235 ^A + k2 .144) *(a.109) we can therefore write the solution ipr = Aeikz$(-i>y.145) U ' ' j " T(6-a)1 J ^ 71=0 r(a)r(a-6+l) n! ' (-7T < axg(-z) < vr). writing Vv = Aeik^-v)/2f(ri) we obtain the equation d2 x d f(v) = 0. v = ik(r . (11. what is the > behaviour of 3>(a. Magnus and F. b. 86 .143) and v = ikrj.z) = Wi(a. A = const.b.136b). According to Eqs.87 under Kummer functions. pp. with the asymptotic expansions (11.z). (11. i. . ..b. (11. (11.

ik(r-z)) where ^ ~ Aeikz——^—f't-^ e ife(r-z) + W2(-n. J\") ci(kr-~/\n2kr) (11.7 ln*(r-z)) k(r .a) (z)- na)"~ r(l-a) T(b-a) n\ ' (11.z)T(l .151) exp[—ryln fc(r — z)] — exp[—ijIn = kr(I — cos 6)) exp[—ryln 2kr — ry In sin 2 (0/2)]. (11. with 2.e. We now define a quantity f(9) by t h e asymptotic relation lb O < ^(. a comparison of Eq. > A = Aeikz[W1(-i1.153) The asymptotic solution represents t h e stationary scattering state (E = const.152) determines the quantity f(9) as /(*) = 7 r(i + i7) exp k(l-cos6)r(l-ij) 2sin2(f) ?7 In sin 2 7 2 exp 2 i a r g r ( l + ij) — ij In sin ( ^ 2&sin2(f) .147) (—7r < arg(z) < 7r) It follows t h a t for r — oo.) of a particle with incident momentum hk in t h e direction of z for large distances away from t h e scattering centre.(11. i.kz+l^ktr-z)) C .l. (11.150) ^(r-z)]-1"^ 1 + 0 T(-«7) i.154) .^l*7 l + O (11. The Coulomb Interaction W2(a.i 7 ) (11. Without t h e logarithmic phase factors.151) with Eq.l.149) (11.148) . if tbr were „ikr ibr ex el"z + f{6) r (11. (11.152) Since z = r c o s # . = r cos 0.e. A(-j)11 A where \ " r(i + \i) 1 j(kz+"flnk('r-z)) 7 f ( l + Z7) _ e i(fcr.z) + l-a)T(n + b.ik(r-z))} =^ + ^d.236 n\Zza-b CHAPTER ^T(n '£ fo 11.b.

that we encounter here is a characteristic of the Coulomb potential. 11. The problem of the logarithmic phase. z — — oo.4 Variation of the observed differential cross section with 0. (11.11..n .155) Since the gradient is proportional to the configuration space representation of the momentum. We define as current density the quantity h J := 2imo [^(v^)-v(v^n. we see that this expression is the exact analogue of a current density in classical considerations. This cross section is defined by the ratio of the outgoing particle current (in direction 9) to the current of the ingoing particles. As a consequence of the masslessness of the photon.Q hk mo v0.1 The Rutherford formula The above considerations permit us to calculate the differential cross section which is a measurable quantity. 2im. the Coulomb potential has an influence on the incoming wave even as far as the asymptotic domain. the current density is * h . also called phase anomaly. In other words. The quantity |/(#)| 2 would then be a measure for the scattering in the direction 9. For the incoming wave ipi = exp(ikz).7 The Continuous Spectrum of the Coulomb Potential 237 the wave could be looked at as the sum of an incoming plane wave exp(ikz) and an outgoing scattered wave. (11.156) .7. 11. the effective range of the Coulomb potential is infinite. do dQ K 12 K Fig.

'screened ZlZ<2e2 c-r/r0 ° . We see that a depends only on the modulus of the potential (i.e.238 CHAPTER 11. We make a few more important observations.152) as 1. The Coulomb Interaction In the case of the Coulomb potential we now ignore the logarithmic part of the phase (see discussion later). which yields the scattering cross section.159) as the Rutherford formula which can also be derived purely classically. thereby screening itself off from the surroundings. In Eq. the square 7 2 ). since in actual fact the Coulomb potential occurs only in a screened form.153): 4fc2 s i r - The expression /(#). We obtain the total scattering cross section by integration: „2 — /£<" = £/777*V sin 4 « 1 »«°) We observe that this expression diverges in the forward direction.e. in the current this would in any case contribute only something of order 1/r. Correspondingly the other part of (11. This implies that scattering takes place for the attractive as well as the repulsive potential. is called scattering amplitude. (11.152) yields as density of the outgoing current Jr = ^\f(0)\2vo(11.154) we chose the prefactor of the incoming wave in (11. i. We recognize the result (11. In the context of quantum electrodynamics one refers to "vacuum polarization" and relates this to the idea that a charged particle like the electron polarizes the otherwise neutral vacuum by attracting virtual charges of opposite polarity and repelling virtual charges of the same polarity.157) The differential scattering cross section da into the solid angle element dVL is defined by the ratio da ir which in the present case is with \f{6)\ obtained from Eq. In reality this divergence does not occur. That this formula retains its validity here in quantum mechanics is something of a coincidence. (11. for 0 —> 0. This implies effectively that the Coulomb potential becomes (virtually) a screened potential or Yukawa-type potential of the form V .

which in the case of free motion (zero potential) are simply plane waves.e.165) ^ ( x ) = £ fe Vk(x). _ x o _ v o ( t _ toh io)_ e-m0-^-VoKt-t0)^o)ix (1L167) 0 l/> () ) fx-Xn t)~ gik-(x-xo) .e. The particle velocity v is v = — . 11. v0 = .164) Ek~Eko + {k-k0)-v0h. t0) = e.i i f ('-'°>/Vk(x. the wave packet in the absence of a scattering potential.t) = e .e.yJ ^ j A k o W 727)3/2 e 0.4. 2mo V + F(x) k (11.^ ^ % ( x ) . t 0 ) . of the equation r fi. (11. m0 m0 and V. / dk 7^340(k)4(x-xo. and which provides the uncertainties arising in quantum mechanics. be given by ^ f dk AL.*'^ e1 p-iEk{t-to)/h (x x i)= (2^3^ ( k ) roT ^ k o l * .8 Scattering of a Wave Packet 239 This screening of the Coulomb potential insures that the scattering cross section in forward direction is actually finite as observed experimentally and indicated in Fig.11. and if H is time-independent one has the stationary wave function ^(x. 2 (11-162) where Vk(x) = ^ ( x . whose maximum moves with the particle velocity. i.t).t). 11.x° ' r j .k(x) is a solution of the continuum with energy h2k2 E = Ek = — >0. (k). A wave packet with momentum maximum at k = ko (with momentum p = hk) is therefore given by the following expression in which xo can be considered to be an impact parameter.166) Let the incoming free wave packet at time t > t$. (11-163) (11. The wave packet is a superposition of waves ip(x. i.2 fr2 . i.161) where Ak0(k) ~ A(k — ko) and ^ k (x. of continuum wave functions. t 0 ). (11.8 Scattering of a Wave Packet We saw earlier that in quantum mechanics a particle is described by a wave packet. t) = U(t. t 0 )^k(x.

(11.ik .169) The wave packet in the presence of the potential is obtained from the free form (11.e. With Eqs.169) and (11.173) . can be written A (X) = ( 2 ^ + -W J ^ ^ ^ ( ^ ( x ' ) - eikx 2mn f P»fe|x-x'| (11-168) We saw earlier (cf.10 we show that the solution V'k(x) of Eq. this solution > has the following asymptotic behaviour in which f(6. (11.154)) that for |x| — oo. The Coulomb Interaction In Example 11.x °Vk(x). From Eqs.161) and (11. Then with k = ^(ko + k . (11. (11.<p) + Ol Akr l (11. the stationary scattering wave.ko) k0 (11.ip) is the scattering amplitude with respect to the incoming plane wave.167) by replacing the plane wave exp(zk-x) by this scattered wave. (11.k0) ~ k0 + and the expansion of E^ in Eq.240 CHAPTER 11. i.x 0 ).167) we have ^k0(x-x0.x + _ / k ( e j ¥ ) ) -ik-xo (2TT)3/2 -zk-xo = <>(* r y (2vr)3(27r)3/2e M ^ ) e -*o)/^] e -ik-x 0 (11. (2TT)3/2 eik-* + —fv(P.k 0 ) 2 ~ Jk20 + 2k0 • (k .t) = J ^ A k o ( k ) e .170) A ko (k) e . Eq.e.^ ( * .i) dk (2TT (11.xo. k = kez. i.165) ko • (k .t o ) / V k ( x .166).172) h h k0 {r-v0(t-t0)} (11.iB *(*-*°)/ R °'tj + 1 pikr e * . ip) could be carried along but we ignore it.171) The phase of fk(0.163) we obtain </>ko(x . ^k(x-xo) ^k(x) ~ = e.

r')l/(r>fc(r').x 0 .r ' ) . 11. the solution can be written iMr) : (2TT)3/2 ^|dr'G(r.*0ko (x . (11.^e (2^3(27r)3/2e y (27r)3(27r)3/2e (11. (11.8 Scattering of a Wave Packet so that with Eqs.to) has t h e form of t h e wave packet in radial direction as indicated in Fig.174) r -/k0(^. (A + fc2)t/. '.5 Scattering of a wave packet with scattering centre O. i.r'). U(T) = ^ V ( r ) . E x a m p l e 11.x 0 . (11.171).r')V(rW). A particular solution of the Schrodinger equation is — J G(r. Adding a suitably normalized solution of the free equation.167). t) -f. t) .10: Schrodinger equation as integral equation Demonstrate the conversion of the Schrodinger equation into an integral equation.fco(t-to)/ft]^0o)(x/-xo.to).154).11.(«)/ ipko(x . and determine the Green's function G(r.^y /k0^.y)e-iko'Xoe'[fcor-£.e.(r) 2rrao V(r)V(r) 7/>(r) (2TT)3/2 ^|dr'G(r. *. Here ^ (x' — xo. 11. r ' ) by the equation (A + fc2)G(r. with the energy of the maximum momentum of t h e wave packet. however.z Fig.r')U(r')ip{r')dr' /4T7 (as we saw earlier) . r ' ) = -47r<5(r . T h e scattering amplitude is t h e same as t h a t given by Eq. Solution: We define the Green's function G ( r .5. . r 241 (0 LO) f ^ Afc o(k)r-ik-xnri[fcor-£fcoa-to)/ftl i(k-ko)-x' = /k0^.

/2 dk'd(—cos 6)dip iki. Thus we consider the contour integral taken around the contour C+.6 The contour C+ in the upper half of the k'-p\ane. e > 0 small. These are the so-called outgoing and ingoing Green's functions.e \ r dr\ k ikr 1 ikr 0 With the choice of an analogous contour C— in the lower half plane.Rek' -k-fc/2K Fig.fc2 ' 2 ^ i fc72^"fc2 Integrating out the angles we obtain 1 G roo />7r 2n fc' rZn j.O O ™ fc2 (e*fc'r _ e- ifc / r 1 fc ) = - / fc'dfc' i(fc' 2 -fc 2 ) Since this integral does not exist. Imk . we relate it to a properly defined contour integral with the two simple poles at fc' = ±Vfc 2 + ie = ±(fc + ie/2k). r ' ) = G ( r — r ' ) with the Fourier transforms G(r) = J dk' 3 (k')e ik ' r . « = 5-2 / J _ Z100 7rr 7o / A fc'dfc' 2 / 2 • fc2 (fc' *(fc' . G+(r) 1 d dk' lim e->0 TTT dr Jc+ fc'2 — (fc2 ~ik'r 1 d -2-ni nr dr \k' + k+ ie/2kj ik r J__d_ 7rr dr 2ni N ^ residues k. 11. dk' ik'*r 2TT2 fc'2 . displaced slightly away from the real axis as indicated in Fig. 9{k') = 1 1 S(T) = j G(r) 1 ^ A j dk'e i k ' r . The Coulomb Interaction We find a set of Green's functions G(r. one obtains another Green's function given by G_(r)= r -e-ikr.fc ) oo dfc' 1 d nik r 7rr dr / .6. 11.242 CHAPTER 11.=k+ie/2k 1 d f. Hence we write G(r)-G+(r). which is such that the contribution along the infinite semi-circle vanishes. .

9 Scattering Phase and Partial Waves 243 11.176) " 0—A ~ (I + 1 + i-y)<t>i = 0. (11. b.0 + W2(l + 1 + i-y. b. b.9 Scattering Phase and Partial Waves We observed above that the Coulomb potential is associated with some special effects which one does not expect in general.e. we define first the scattering phase for the case of the Coulomb problem proceeding from our previous considerations. Then yW (11. the logarithmic phase as a consequence of the slow decrease at infinity and a special symmetry which permits separation in other coordinate systems.140) (previously we solved this only for the bound state problem) § . Thus we proceed as above.g.11. (11. -2ikr) s For comparison with calculations in Chapter 16 note that for h = c = 1 together with 2mo = 1 and hence E = fc2 the quantity 7 here contains a factor k. under the stated conditions 2/07 = Z\Zie2 = —Mo. . i. z). (11.£). 21 + 2. Eq. (r) (11-177) Similar to above we obtain a regular solution y) ' with 0j = F(Z + l + i7. If we proceed from the radial Schrodinger equation.e. Eq. whose continuation to infinity is again given by (cf. i.2Z + 2.175) yl' + k Here we set (as in the case of the hydrogen atom) yi = eikr{kr)l+lUi).145)) F(a. (11. Then £^<fc + (2l + 2 £ = ~2ikr. -2ikr)] [Wi{l + 1+1-1. z) = W^a.z2 27fc 1(1 + 1)' yi = 0.178) (11.2l + 2.179) = = elkr{kr)l+1F(l e (kr) ikr l+1 + l + ij. z) + W2(a.21 + 2. (11.100) — and we saw that in the particular case of the Coulomb potential this is not essential — we have to solve the following equation for the scattering case obtained from Eq. where Mo is a parameter in Chapter 16. Before we introduce the general form of the so-called partial wave expansion. e.

181) so that eldlT{l + 1 .l -e*"" + T(l + 1 + H ) T(l + 1 .«7) „ .i 7 ) I T 2l -l—X—i^j ( + 2) -2ikr( ?. (2kryr{-i" V 7 .j syy-l-l i-y il( _ . .i f c r + i 7 In 2/cr+i7r(i+l)/2 + We set T(l + 1 + 17) = r(z + i + i 7 ) ' r(z + I .183) r(Z + 1 + 17) := Reie. T(2l + 2) (2fcr)-*T« (A-l-l-i-y ikr .146) and (11. Then e2i5< = Reie Re~ J2i9 9 = Si. Then (r) r—»oo Vi 7T7/2 T(2Z + 2)e*7'*e i8i 2'+1I\Z + l + i 7 ) i5.180) ^ ' (11. +ikr—iry In 2fcr—i7r(Z+l)/2 _i_ — iSi— ikr+i^ln2kr+iTr(l+l)/2 ! We set I^TiT^rsin(J:r"7ta*"^+4)'<1L182) 6 = arg T(Z + 1 + ij) (11.i 7 ) „ikr—ij\n2kr T(2l + 2) e -e* jTv(-l-l-i-y)/2 2l+i —ikr r(z +1 .ry) = e"^r(Z + 1 + ry).147) this becomes asymptotically (r) Vi lkr eikr(u„\l+l (kr T(2Z + 2) '—(2ikr) \T{1 + 1 .244 CHAPTER 11.ii)' (11.' .n) • e „—ifer+i7ln2fcr _e-Mr(i7-J-l)/2 r(z + I +17) T(2Z + 2) /2 • ikr-i-y In 2fcr-i7r(J+l)/2 r(z + 1 . The Coulomb Interaction Using Eqs. (11.

(11..188) in the form y/E.185) J F} ^° sm(AT-7ln2£T + ^ ) (also called regular spherical Coulomb function).n ' . Analogously one defines as nonregular spherical Coulomb function or Jost solution the outgoing or incoming wave u\ . i. kr) the regular solution with the following asymptotic behaviour: r 0 (11. (11. i. as we saw. where the continuum of the spectrum starts.9 Scattering Phase and Partial Waves Hence 5j = argr(Z + l + i7). However.2. In the present quantum mechanical considerations I is.187) contains almost the entire physical information with regard to the Coulomb potential. i. a positive integer. 245 (11. considering I —• an(E).. The expression e 2i5j _ 2i5i—iirl is called S-matrix element or scattering matrix element._W2)_ ( 1 L l g 6 ) The factor e2lSl between the Jost solutions (in the regular solution continued to infinity). .u\ respectively with the following asymptotic behaviour: u(±) r^o e±i(fcr_7ln2fcr. .e. One defines as regular Coulomb wave Fi(j. indicates that — looked at analytically — the scattering amplitude f(6) possesses at E — 0 a branch point of the square root type.139) n' = 0.184) The phase 6i = 8i — lir/2 is called Coulomb scattering phase.e.11.. (11. considering I as a function of E extended into the complex plane. i.e.114a) reveals). with Eq. Squaring this expression we obtain the wellknown formula for the binding energy of bound states (as a comparison with Eq. That the energy E appears in Eq. g = e«* = rSi + 1+ *V*ri (11. For instance the poles of S are given by Z + l + z7 = .e.1.

we obtain trajectories which are known as Regge trajectories. and thus in general. The Coulomb Interaction and plotting these for different values of n.191) . Singh [252]. 11. lman(E) jump from E<0 toE>0 o A LU -infinity - E<0 Rea n (E) Fig. In these cases. we obtain the partial wave expansion of the scattering amplitude as follows. (11. We mentioned above that the logarithmic phase does not arise in the case of short-range potentials. We shall return to these in Chapter 16 in the consideration of screened Coulomb potentials or Yukawa potentials and indicate other important aspects of these. The large r asymptotic behaviour of the solution which is regular at the origin in the case of the scattering problem can be written ^ r e g = V'in + V'scatt. (11.7 A Regge trajectory of the Coulomb potential. 11." These Regge trajectories can be shown to determine the asymptotic high energy behaviour of scattering amplitudes and hence cross sections. For the Coulomb potential a typical such trajectory is indicated in Fig.189) where as before the incoming wave in the direction of z is ikz ipin = e (11.246 CHAPTER 11.7.190) and the scattering solution „ikr Vwt = / ( 0 ) — + 0 V.

i f c r .i * r 1 v-^ f ne2ibl — 1 \ = k^2l W +1 \^r^)Pl{cosd)—.195) with the scattering matrix element S(l. When we solve the Schrodinger equation and calculate the asymptotic behaviour of the regular solution we obtain correspondingly V'reg . r e. pp.192) Thus the incoming and outgoing spherical waves have a definite relative phase. The potential disturbs this phase relationship (by delay or absorption or redirection).^(cosfl) (1L194) This therefore yields the following partial wave expansion of the scattering amplitude = ^lY.^2l + l^S^k) lik (11. .eikr\P^cos9).~ J > Z + l)Lil*e~ikr .r ^ V ^ Wostf). (11. Legendre functions) and its asymptotic expression for r — oo and z — r cos 9 is given by" > eikz -^rJ2(21 + 1 ){e i i ' r e. W.193) where r\x e2l5t determines the change in amplitude and phase of the outgoing spherical wave.196) "See e. It follows therefore that pikr ^scatt ^ f{0) = Aeg-eikz = ~ ^(21 + l)Lilne-ikr - rHe2iS<eikr\pl(cos9) eikr\pi(coa9) eikr " 2 ^ E ( 2 Z + l){e i ' . Magnus and F. 21 . There the expansion is given in terms of Bessel functions Jv which have to be re-expressed in terms of the asymptotic behaviour (1 2) of Hankel functions H„ ' .11.22. (11. Oberhettinger [181]. (11.k)=me2iS^k\ in which r\i^\ indicates absorption. The mathematical expression can be found in Tables of Special Functions (there cf.9 Scattering Phase and Partial Waves 247 For a spherically symmetric potential the amplitude / depends only on 9.g. The incoming plane wave can be re-expressed as a superposition of incoming and outgoing spherical waves with appropriate components of / and with a definite relative phase.

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as — for instance — for trigonometric or double well potentials.Chapter 12 Q u a n t u m Mechanical Tunneling 12. For various general aspects and applications of tunneling we refer to other literature. in texts on quantum mechanics is rare. M. which a particle in classical mechanics would never be able to intrude. which in one form or another. can be found in any traditional text on quantum mechanics.e. i. Razavy [236]. namely the instanton (or more generally pseudoparticle) method. In fact. one of the main and now wellknown methods to perform such calculations.g. the computation of finite lifetimes of a quantum mechanical state. 249 . In particular we consider cases which illustrate the occurrence of tunneling and that of resonances. was developed only in the last two to three decades. therefore. Similarly difficult is.1 Introductory Remarks One of the main objectives of this text is the presentation of methods of calculation of typically quantum mechanical effects which are generally not so easily derivable in nontrivial contexts but are important as basic phenomena in standard examples. These newer methods will be presented in detail in later chapters. It is not surprising. in general. however. Thus in this chapter we consider traditional "square well" potentials in one-dimensional contexts. states of a finite lifetime. that quantum mechanically a particle may have a small probability of being in a spatial domain.* *See e. It is very instructive. Such a vital quantum mechanical phenomenon is socalled tunneling. i.e. that the explicit derivation of such quantities in nontrivial contexts. to explore first much simpler models in order to acquire an impression of the type of results to be expected.

-ih-r(x.5) L j • dF IFo is the probability that per unit time a particle passes through the surface FQ. We assumed this already in the preceding since we interpreted the normalization integral / Jail space dx\ip(x.t) = HiP(x. so that p = |T/>|2 is the probability density for a spatial measurement at time t.. (12.e. Quantum Mechanical Tunneling 12.t)\* (i2 2) - With the help of the Schrodinger equation ih-iP(x.t)\2 =1 (12.4) (12. M^ Then dt + V-j 1=0. t) was developed by Born in 1926.t) that the one particle concerned is somewhere in space at time t. Correspondingly one interprets as probability current density the expression j x ( < ' >=iH v ^7 v <4 = [W{x.250 CHAPTER 12.t).2 Continuity Equation and Conditions The statistical interpretation of the Schrodinger wave function ^(x. According to Eq. .1) as the probability described by ijj(x.3) we can obtain the continuity equation which describes the conservation of probability in analogy to the case of the conservation of charge in electrodynamics.2) we have = o + ~v-[(vv>*)V'-V>*(W)] = -v-j.t) (12. r (12. i.

The Schrodinger equation for this case is* ip" + [A. In much the same way that we define there reflection and transmission coefficients. Delta potentials in more than one dimension do not permit bound states and scattering. However. From this follows that both p and j have to be finite and continuous everywhere.33. The wave phenomenon which permits transmission and reflection is familiar from electrodynamics where the laws of reflection and refraction of optics are derived from continuity conditions at the interface between dielectric media applied to the fields E and B of Maxwell's equations. since this potential implies a discontinuity of the derivative at its singularity (as will be seen below). t For the singular delta function potential a modification of these demands is necessary. An important consequence of the wave-like nature of the wave function ip(x) is that it can differ from zero also in domains which are classically not accessible to the particle. Gosdzinsky and R. This case plays a special role. (12.2a6(x)]il> = 0.6) . If ^>(x) and V^>(x) are known at every point x. we can do this also here. Such a region is for instance the domain where V is larger than the total energy E.3 The Short-Range Delta Potential It is very instructive to consider in detail a potential V(x) = VQ6(X) with the "shape" of a one-dimensional delta function. 'Maybe the reader dislikes being confronted again with the one-dimensional case. with regularization their study is very instructive for illustrating basic concepts of modern quantum field theory. If there is no absorption. which is the case we consider here. Nonetheless. 12. 2m E 2 V0 > 0. even for discontinuous potentials. as we mentioned above. It is therefore quantum mechanically possible for a "particle" to pass through a classically forbidden region. Tarrach [119]. higher dimensional delta potentials do not have properties like that in one dimension. pp. as shown by P.3 The Short-Range Delta Potential 251 The time-independent Schrodinger equation is a second order differential equation in x. ~hr> k = n^- (12 7) - . where „ mpVo V(x) =+V0S(x). Thus it is possible that the probability for the particle to be in such a domain is nonzero. This effect is known as "tunnelincp. It is therefore sensible to demand that V( x ) a r i d V'0(x) be continuous. finite and single-valued at every point x in order to insure that V( x ) i s a unique representative of the state of a system.12.2 . 29 . the equation can be integrated at every point. the problem is analogous to that of the scattering process from a potential in a one-dimensional case. although in general small. 1 0 ~x o a= f See L. Schiff [243].

e 1 + B = C. .e.= 2a^(0). The continuity conditions at x = 0 are therefore for V : and according to Eq. a 2 — a 2 a — ik a2 + k2 ' . Quantum Mechanical Tunneling Integrating the equation over a small interval of x around 0 we see.ikB) = 2aC or 2a(l + B). 2 (12. i.1) . that the derivative of i/> is discontinuous there: W\U + k2 J i>dx .ikC = i. i.13) ~A R= for x > °(12.12a) (12. (12. i. a — ik £Qr < { eikx a e-ikx •t" . In the region x < 0 we then have both types of waves: the incoming or incident wave to the right as well as the wave reflected from the potential.2 a J 5{x)4>(x)dx = 0.: (i2-iQ) Ce for x > 0. _ fQr x < Q^ eikx _| ge-ikx ^=\ ~ Blkx *x . (12.9) for ij. (12.[^']o. e Q (12.11b) -2aC. [<//]0+ . (12. Consider the case of a purely outgoing wave in the region x > 0 (no reflection back from infinity).12b) a=—^— C = -a + ik and hence B = C-1 Thus for i/> we obtain = ?—.252 CHAPTER 12. except in domains of the potential V.ik(C .e.e.9) States with k > 0 correspond to those of free particles that move with constant velocity v = hk/mo.11a) ikC .' : It follows that ik .(ik .8) (12.14) One defines respectively as reflection and transmission coefficients R and T the squares of the respective amplitudes.

e.17) da#(s)| 2 = 1.16) The corresponding wave function proportional to etkx for x < 0 associated with the pole for k = — ia is^ rl){x) = V^e~aW.e. Newton [219]. (12. .3 The Short-Range Delta Potential and T= -^-rr a — ik 2 253 =1-R. or h2 E = --—a2.ip'(0-) = .2 a C . and C follows from the normalization: OO A.g. the quantity T. We write the solution ^ so that ^(0+) = ^ ( 0 . at k2 = —a2.19) Thus the delta function potential supports exactly one bound state. 2m 0 (12.2 o ^ ( 0 ) . f Ce~KX c.i 8 ) . = . . 'Note that the physical pole has negative imaginary part.e -«|x| = J \ CeKX for for x > 0. / -oo In the bound state problem the Schrodinger equation is ip" + [k2 + 2a6(x)]ip = 0.(K)C = . ( 1 2 . poo nc s~t2 / -oo dxe dxC2e~2aW = -2a\x\ _ u 2C2 / JO a Hence C = y/a and therefore ^ = Vae-QK (12.2 = . K = a. possesses simple poles at a ± ik = 0.) and V>'(0+) . R. Proissart [223] or other books on scattering theory like R. when normalized to 1. as coefficient of the outgoing wave. z<0. i. Omnes and M.15) Furthermore we see that similar to the S-matrix which we encountered in the case of the Coulomb potential. oo (12.12. See e. Thus ^ = Ce.a l s l. i.K C .K 2 < 0.

21) The solution of the Schrodinger equation then consists of the following parts: Aeikx + Be tp{x) = { Ce~ iKX lkx iKX with with with xe[—oo. (12. Quantum Mechanical Tunneling 12. p. x€[-a.254 CHAPTER 12. We set 2m0(E + VQ) h2 so that ip" +fc2V>= 0 ip" + K il) = 0 2 (12. p. 12. 55.22) + De Feikx + Ge~ikx *We follow here largely F. The Schrodinger equation is iP"(x) + 2 ^[E-V(x)}iP(x)=0. (12.1. —a]. Similar treatments of square well potentials or barriers can be found in most books on quantum mechanics. 12. Fermi [92]. V(x) V=E -a v=-y Fig. 58. We want to consider the case of stationary states for E > 0.a]. \x\ < a.20) for for \x\ > a. x G [a. or in the lectures of E. . oo].4 Scattering from a Potential Well We can immediately transfer the above considerations in a similar way to scattering from a potential wen* as indicated in Fig.1 The square well potential. The latter contains also specific applications in nuclear physics. Schwabl [246].

2 l ^i i K\ iKa-ika O \ (1 + %)e ina—ika (1 . (12. Fikeika .ikBeika = -inCeiKa + DiKe~iKa.4 Scattering from a Potential Well 255 The connection relations obtained by equating ip(x) and its derivative from left and right at x = — a and a yield the equations Ae-ika + Beika = CeiKa + Df.23) Ce~iKa + DeiKa -iKCe~iKa + DiKeiKa = = Fe ifca + Ge"*fca.27) v ' Similarly Eq. (12. ).. ) A l ( pika p—ika pina K ina kC p—ina \ _p—ika J \ Kp—ina J ( c\ U/ (12.24) The first set of equations can be rewritten as / ( p—ika / p—ika pika pika U pika A \ \ / \ / 1 pina Kpina p—ina Kp—ina \ \f ° ){D ) \ B ) ° or A N \ Bt i. I (12. M(-a) . fc Af(a) = .12. (12.28) Prom these matrix equations we obtain ( B ) = MWM(-fl)_1 ( G ) ' where M(-a)-1 = v ^12'29) -i / [i + n i K\eiKa+ika *)e (i t-\ K\„iKa—ika fcje \ ] J fl2 30) • J ' 2 \ ("I — K'Jg-ita+Jfca Q _i_ K\p~iKa-ika \ . .24) yields F ^ G. (12. (12. ( V C n vD ).e.26) K^g-ifoa—i/ca fc.f )e" t-\ K\0—tKa—ika .ikGe~ika.-iKa ? ikAe~ika and .25) ^\=M{a)lCD where 1 / f l — « \ irea+ifca /i .

. x € [-a. \R\2 = T(E)^sm2Ka (12.^esin2«a]e 2lfca \r\ sin 2/ta Thus if we now set G = 0 in order to have only an outgoing wave proportional to exp(ikx) to the right of the well. xe[a. (12.31) we have A AT(a) = )-MFo B -^r)sin2na .a .36) One defines as reflection coefficient \R\2 the modulus squared of the reflected amplitude divided by the amplitude of the incoming wave.37) .(1 + |e 2 ) sin2 2na 1 .a ] .256 CHAPTER 12.22) we obtain ' Aeikx + AT(E) I sin 2Kae~ikx T/>(X) (12.oo]. the quantity T{E) := £ = A -lika cos 2/ta — je sin 2/«x (12.a].35) with with with x G [-oo.—2ika [cos 2/ta + \e sin 2«a]e~ (12. i. i.34) into Eq. we obtain A = F( cos 2na — . (12. = < Ce~lKX + DeiKX .e.4T(£)e ifci. (12.34) and as transmission coefficient (note e is complex!) \T(E)\2 = 1 .e sin 2na IJlika e B = -r)F sm2na.33) One defines as transmission amplitude the ratio of outgoing to incoming amplitudes.32) [cos2«. (12.i^ 2 sin2 2KO 1 + |ry?7* sin2 2/ta Inserting Eq. Quantum Mechanical Tunneling Hence with the complex quantities IK (12.e.

(12. (12. formula 406. We see in particular from Eq. which is satisfied if either / = g or / = — g'1. 2m0\E\ h? ' (12. Dwight [81]. an equation of the type f~1-f = g-1-9. i. However. and k real. 2\k K.\ sin2 2KQ •n 4 sin2KaT(E) — \K\ > - IRI2 (12.35) and using Eq.43) Thus we set k — —i ' H .12. cot(fca) = i— or tan(fta) = K K . for -VQ < E < 0.40) we obtain cot(na) — tan(/«j) — i K IK -. nor when both parameters are purely imaginary.e.e. (12. (12. where cos 2/ca With the relation§ cot(2«a) = -[cot(«a) — tan(/ta)]. i.e. (12.4 Scattering from a Potential Well On the other hand according to Eq.12. (12. (12. p. in the domain of A imaginary and K real. . 83.31): 1\T(E)\2 257 1 . they have solutions.41) i. Li ( — H— I sin 2na = 0.38) as expected.44) . (12. B.42) These equations have no solution for K.39) 2 i.e.34) that the amplitude F = AT{E) of the outgoing wave has a simple pole where cos 2KCL e sin 2KCL = 0.

45) These are the equations that one obtains from the connection relations for the case of Eq. Quantum Mechanical Tunneling . t2 2 (12. (12.' We observe that T(E) has poles at those values of E which supply binding energies. The vanishing of A implies that because k is imaginary the factor exp(ikx) does not diverge exponentially for x — . A = 0. The remaining wave part becomes exponentially > decreasing. n = 0 .48) We expand T{E) around these energy values. Schwabl [246]. i. "Note that dtan(2K<z)/'d(2na) evaluated at ER is 1. . We now return to the scattering states. Then according to Eq.l . The infinity of the amplitude of the outgoing wave corresponds to a zero of the amplitude of the incoming wave. (12. around the values given by Eq.34). (12.35)) for E > 0 sin2Ka = 0. t&n(2Ka)ER = 0. (12. (12. „ .46) This condition implies the eigenvalues E^ER = n2^-^ -V0>0.47) These states in the continuum are called resonances. .50) See e. Also. The amplitude of the transmitted wave assumes its maximum value where (cf. k\ d(2Ka) K) dE \ E R 1v/2^a 2 h 2ER + V0 ^ER~(ER + V0) r 1 (12.65. (12. (12. .258 and obtain the equations CHAPTER 12.e. 2m0\E\ and Kcot(Ka) = y—-^—L.20). 2m0\E\ Ktan(«a) = — y——^— . 64 . Eq. = 2/rn -(E-ER). i.46). and is itself infinite there. (12.49) Taylor expansion of the denominator in powers of (E — ER) yields . ± 2 .42) which then leads to bound states with associated even and odd wave functions.fl = ( .e. F.l ) n .g.e. This can be understood. from Eq. . (12. ± l . 2Ka = nn.c o . i. T(E)e2ika = — r . pp. At their positions cos(2/«z)|£.+ -\tan(2Ka) where T is given by" 2 1 (K 2\k 1 (K k\ /n .

5 Degenerate Potentials and Tunneling We obtain therefore T(E)e2ika = = (-^ 259 iT/2 E-ER + iT/2' (12. The Schrodinger equation to be solved is ^"{x) + ^(E-V(x))i. . This result is physically very plausible.2. -2a<x<2a.^ l / . V(x) = 9(x + a)VQ6(a-x).' ' 5a \V- / Fig. T(E) has poles at E= ER-i: (12. These are precisely the resonance states. A potential of this type is known as a Penney-Kronig potential. We consider a potential consisting of a chain of rectangular barriers as depicted in Fig.' ''' -5a -3a \ -a ~~-~. 12. 12. a 3 a. = 0.12. .e.2 The Penney-Kronig potential.52) Here ER is the energy of the resonance and 2/F the lifetime of the state. V(x) x=-2a x= =2a .5 Degenerate Potentials and Tunneling In the following we consider a potential which is very similar to a periodic potential and can serve to illustrate a number of aspects of the process of tunneling in quantum mechanics. -s \ V0 /• ~\ 'X .51) i. Since we have reflection as well as transmission there are states with repeated reflection and finally transmission. 12. We restrict ourselves to the period — la < x < 2a.

(12.53) *w«w^( « j)'*^{i i ^ . and we choose (12. VHV-1 Hip(x) = Eil){x): VHV~lV^){x) = EVtl>{x). x + 3a <> ™ since the particle cannot penetrate into the infinitely high wall. E^En = ^ ^ t n = 0.2 = W h 2 _„2 = 2mo(E . and hence for = Eip(-x).260 CHAPTER 12. . Quantum Mechanical Tunneling (a) We consider first the case of VQ = oo.e. This boundary condition implies the quantization of the energy with ^ ( 2 a ) = n7r.e. Hip(-x) so that with Hi/)(x) — Eip(x): H[^{x) ± t/>(-x)] = E[^{x) ± xl>(-x)\...e There is the additional boundary condition (for Vo = oo) ^ ( .56) Thus the problem has a two-fold degeneracy: Associated with every eigenvalue E there is an even and an odd eigenfunction and h2 n 2 7T 2 E — En > 2m0 4a 2 (b) Next we consider the case VQ > E..55) The Hamilton operator of the problem.a ) = 0 = ^(a). .1.2. We set .2 < a . (12.. i. the differential operator is even in x. In view of the periodicity we have ^(x) = ^(x + 4a). HV^(x) = H. with V as parity operator. = EVip(x). The particle of mass TUQ whose quantum mechanics is described by the Schrodinger equation is free to move in the domains under consideration to the left and to the right of the central barrier.. i.Vo) n.

however. This means that i>±(x) = < | = ±1..2a]. ^kAcos{k2a).2a]. = Ka ±Asin(k2a). so that (W meaning Wronskian) W[tl>+. (12..62) = nBe~Ka T nBeKa = ^n[BeKa q= B e " M ] . (12. 12. BeKX±Be~KX with xe[-a.59) Asink(x + 3a) with x & [~2a.60) The boundary conditions that ip± have to satisfy. At x ~ — a the connecting relations are Asin(k2a) kAcos{k2a) and at x = a: BeKa±Be~Ka K.58) D sin k(3a — x) with xE[a. (12.il>-]?0. The central region of the solution is the classically forbidden domain. V+(0) = const. — a].61) = Be~Ka ± BeKa = ±[BeKa ± Be'Ka].2a. — a].12.Be Ka (12. are ^_(0) = 0. V'-(O) = const.a].a]. that these are such that for VQ — oo they approach those of the previous case. This wave function is no longer restricted to the interior of a box. VV(°) = °. which. We expect. of course. xe[-a. ±Asink(3a — x) with x€[a. At x = ± a we now have to connect ip and ip' of neighbouring domains.2). We demand these for even and odd wave functions ip±(x) which we can clearly construct from ip(x) (as examples see the dotted lines in Fig.5 Degenerate Potentials and Tunneling 261 We restrict ourselves again to the period — 2a < x < 2a. We can write the solution as consisting of the following pieces: { Asink(x + 3a) BeKX + Ce~KX with with i £ [ . (12.63) = KBe~ F = . we shall not exploit here. We therefore have different boundary conditions. (12. We > obtain even and odd functions ip± by setting ^ = ±1.

the limiting value for K = oo: tan(2a/c) = = tan(n7r) -\ (2ak — nir) 1 — ^-—. k = fc0dd. say.67) The value of k belonging to the upper sign. It is plausible therefore to use appropriate expansions.nir)2}} = 1 ± 2e~2Ka.2 a .e. = AA. F ^odd (12.e.mr)2}. For large values of Vb. the odd solution with. for VQ — oo.65) and we expand tan(2afc) about nir. In general one now rewrites the equations in matrix form. where Akoce'2™. (12.nir) + OU2ak . Taking the ratio of the equations in both cases. we set tanhx = l . i. i. is the one belonging to the even solution.66) Inserting these expansions into Eq. (12.2 e . 12. say A.e. (with re-insertion of nir/2a for k) 2ak ~ nir .64) we obtain ~[(2ak k .nir + 0[{2ak .4 x ) and cothx = 1 + 2e~2x + 0 ( e " 4 x ) . + 0 ( e . in the present case it is easier to continue with the above equations.e.262 CHAPTER 12.+ • • • 1! cos^(n7r) 2ak . Quantum Mechanical Tunneling Fig.even. i. However. i.68) .Thus we observe a splitting of the asymptotically degenerate eigenvalues: kesympt. (12.3 Level degeneracy removed by tunneling. (12. and is — as we see — less than that belonging to the lower sign case.. we obtain k v ' eKa^e-Ka | tanh(«a) v ' These are transcendental equations for the determination of the eigenvalues of the even and odd eigenfunctions. » we expect the eigenvalues to approach asymptotically those of the case Vo = oo.— (1 ± 2e~2A + O (—).

exp r rb rb / •J a 2mo (V(x) .12.4. as indicated in Fig.e. Fermi [92].3. y(x) = sin and y(xo) = 1. '.. . Solution: The wave functions i/>o>Vv in regions V = 0. w(x0) •• = = mogy(x). The following example is an attempt to transcribe the quantum mechanical effect into a macroscopic situation.v = 0. Example 12. .V{x)\i. exp .** " W ~^7~ Fig. Classically the car is unable to overcome the bump. 12. 0..4 A car meeting a bump in the road. 1pV 2ro 0 4>o '. . V ^ 0 are given by the equations ^o + " J . i.^ 0 = °' Hence in dominant order •00 — exp . but quantum mechanically there is a finite probability for this to succeed. and is a reformulated version of a problem set in lectures of Fermi. (12. 2mn. 12. 12. p.5 Degenerate Potentials and Tunneling 263 Thus the effect of tunneling — here an exponentially small contribution — removes the degeneracy of the asymptotically degenerate states.2 dxy/V(x) (12. b > a.1: A car's quantum mechanical probability to pass a bump A very slowly moving car of mass mo (kinetic energy almost zero) encounters on the road between x = a and x = b. 57.69) where the potential V(x) is (with g the acceleration due to gravity) V(x) y'(xo) Setting w(x) = 7r**E. Compute this probability. a sinusoidal bump in the road with a height of one meter at its peak as indicated in Fig.E)da amplitude divided Thus with E ~ 0 the probability P is given by the square of the transmission by the square of the incident amplitude. 2m0E „ 2mnE .70) xo = -(a + b) 2' . ^v + -^-[E. .

^ ) = 2 ^ . 1000 kg) and using the following values of the natural constants: g = 9.e. (12. 14.264 we have ro / dxyfV(x) Ja CHAPTER 12. one evaluates an approximate probability of exp[-6. S. Ryzhik [122].621. Jahnke and F. p.y) is the beta function (see Eq. and assuming a length of b — a = 100 m of the base of the bump. formulas 3. h = 1. M. **For instance E. We find™ (with ( . n I .2 [fr/2 ~ I)'] (M-l)! 2 ' where B(x.**. we obtain ( . We have 8m 0 : exp ^(b-a)/4 x 2_1 -^^W(s x °' 9191 (12.1.9191 ~ 1. p.055 X 1 0 _ 3 4 J s .384. (15. . Emde [143].4 x 10 3 9 ]. 950. Gradshteyn and I.72) Assuming a mass of 1 ton of the car (i.71) The integral can be looked up in Tables of Integrals.1 / 4 ) ! = (4/3)(3/4)! = (4/3) x 0.807 m s . We can now evaluate the probability.2 . dx sin ' x •• Looking up the value of the factorial in Tables. : 2 ^ B ( ^ . which give /•TT/2 dx sin'M . 369 and 8.2. Quantum Mechanical Tunneling = y/mog 2(1) — a) /""'' / dw sin1/2 n Jo w.17)).1 / 2 ) ! = v^r) TT/2 /.l . p.1.

we consider the linear potential in three space dimensions that forbids the particle to escape. each of which propagates with the classical momentum and energy of a Galileian particle. p.3. in Chapter 15. 13. Example 14. we consider the corresponding case of a particle above the flat surface of the Earth. in the book of G. This is the problem of Galilei in quantum mechanics.2 The Freely Falling Particle: Quantization Under quantization of the freely falling particle we understand here the solution of the Schrodinger equation for the linear potential. Thus. the last case allows only a discrete spectrum. Finally. An additional reason to consider the linear potential at this stage is its appearance in the following chapter in connection with the matching of WKB solutions across a turning point.1 Introductory Remarks We distinguish here between three different types of linear potentials. In the present chapter we consider in some detail the first of these which is the potential of a freely falling particle in one space dimension.* In Chapter 14.Chapter 13 Linear Potentials 13. 265 . for instance. Our treatment in the present chapter aims predominantly at an exploration of the quantum mechanics of the freely falling particle in a domain close to its classical behaviour. whereas the first case permits only a continuous spectrum. Then considering the probability distribution determined by the squared modulus of the wave function. This is the quantum mechanical version of the problem of Galilei in one space dimension. 144. Siissmann [266]. * A highly abridged treatment of this problem is given. We shall see that in this particular case the wave function can be written as a superposition of de Broglie waves.

g > 0.= l V 2-7T J_oo 1 dkeikxijj{k. from d_ -m x2 0 dx + V(x) 0.4a) f°° ${k. x > 0. (13.t).1 S u p e r p o s i t i o n of de Broglie waves We consider a particle of mass mo falling freely in the time-independent homogeneous field of the gravitational force F(x. (13.t) = m0g with potential V(x.1) where g is the acceleration due to gravity and we can put Vo = 0.3) In general the momentum representation is of little importance. Linear Potentials we shall see that at large times t its behaviour is determined entirely by the parameters describing the classical motion of the Galileian particle. Recall the classical treatment of the freely falling particle. c> 0.4b) . i.= l V 2-7T J-oo dxe-lkxip(x.2) which is the case with a discrete spectrum. We consider here the case of Eq.1).t) = -mogx + V0. A different > "linear potential' is the so-called "confinement potentiaF V(x. (13.t). V(x) = —mogx. (13.t) = c\x\ + V0. 13.e. We see " that the case g < 0 can be related to the reflection x — —x.2.t) = . (13. The equation of motion follows for instance from the derivative of the constant energy. and yields rriQX = mog.266 CHAPTER 13. In the present case of quantum mechanics we have h2 d2 2mo dx2 -m0gx ip(x.t). Therefore we use the Fourier transforms il){x. (13. The present case is an exception and a good example of its applicability.t) = .

t) m0gx /2TT m0gxip(x.t)-im0g-^k.3) yields us now by inserting for ip(x. Equation (13.6) the latter equation becomes d ~( m0gt ^(^M<=+=?.9) . To this end we consider the following substitution in Eq. (13. (13. multiplication by a test function and subsequent integration).8) With this result and the substitution (13. This can be achieved by first converting this partial differential equation with two partial derivatives into an ordinary differential equation with the one total derivative d/dt.4a) d ~ f I dk ikx dk 2vr (im0g) iP(k.7) In the wave function on the left hand side of Eq.6) (and to avoid confusion we do not introduce new functions and variables): k -> k + mogt (13.t) h2k2 d ~J(k.e.6) the argument k is then replaced by this.t). (13.5) m+tm9Wcr{ktt)=2^^ktt)t (13. we obtain the differential operator on the left of Eq. (13. (13. d \ ~f1 dkr[ k + m0gt ^r't (13.t) the expression (13.< (13.7) applied to every quantity in Eq.t) dk nikx k=oo '2-K (im0g)il)(k.13.6).e.-d m +imo9 .2 The Freely Falling Particle: Quantization 267 and consider the following partial integration in order to re-express the last term in Eq.3) as a partial derivative d/dk: d lKx dkeAkx{imQg)—4){k.6) and wish to solve it.t).t) dketkxiP(k. We rewrite this equation in the following form th (13. • f-d ~(' m0gt %h . i. The vanishing of the boundary contributions is to be understood in the sense of distribution theory (i. Applying the total derivative d/dt to this function.

t) ok lm og-^— exp dk •ghf dt'|fc+^(t'-t)W(fc. we have to reverse the substitutions and replace in (13.268 CHAPTER 13. We have thus obtained the solution of the transformed equation. Our next step is to re-express the solution (13.11).6) to the solution (13. (13.11) in a neater form. t ) . (13. (13.11) *[k-?f.6).6).1: Verification of momentum representation solution Verify by direct differentiation that the solution (13.t) = i>0[k 1— ) exp 2m0i J0 k+ ^(t'-t) (13.t ) ' U ( f c . Solution: We apply the two operator expressions on the left of Eq.t ) = ipQ(k)exp Jo fdt' k+ m0gt' H (13.6).= k- rmt.gh [ d t ' j f c + ^ ( t ' . We observe t h a t t h e solution is actually a function of kt — k — mogt/h.10) Note the amplitude function ipo(k) in front.12) .t). (13. We define the wave number kt as kt-. the following result h 2moi tp[k-\ ^—.i) .t In Example 13. E x a m p l e 13. i.11) solves the partial differential equation (13.e. (13. Thus we have first (the second term arising from the upper integration limit.6) is then $(k. the third term from the integrand) > / -mog \ o exp dk h J h dt y ' 2mo k2i>(k. To obtain the solution of the original equation (13.10) k by m0gt back : k —> k h The solution of Eq.1 we verify t h a t this solution indeed solves Eq. Thus addition of both indeed leaves the expression on the right hand side of Eq. On the other hand the second operator expression implies dtj>o imog^—ip(k. Linear Potentials This is now an ordinary differential equation of the first order and can immediately be integrated to give an exponential.6).

o o 2 -— | exp iktx h mZgH' .o ut = 2mo -—kf 2mo A. m0g ~7T' k Z k _ r ^ h t Y + i n Smog (13. .14) (13. we obtain rp(x.18) h =k mogt p h S' h .4a).11) can be written -j'A ^.11).t) into this integral and recalling the property (13.15) we obtain / = .13) rn0_t+2 + mlg2t3 . (13. we can write the integral / = l h l h (hr + 7 7 (h 3m0g 3 m0g \ 1 H 3m0g With the definition « * ) • ! ( * = * .} -fA ' _ _tkt 2 k+ t) 2 k .= 1 / f°° dkelktx^{kut) dkipol k V —-t 1 exp iktx K ) (13. Inserting ip(k.17) = J_/ C X ) h2 [It(k) . m0g (13. (13.16) Next we evaluate the Fourier transform of ip(k.gfci + 2 g2m0 2/i 2 ' (13.2„2+2 mfaH 3^3+3 .t) defined by Eq.2 The Freely Falling Particle: Quantization 269 Then the integral in the exponential of the solution (13./„(*)] 2m^ig Inserting the explicit expression for the argument of the exponential. we have ip(x.t) = .t) = 1 / dkipo ( k mogt 2 h ( 1m\ig \ With .19a) . 27T ^ .I0(k)].— [It(k) . _ k t | h2 3 Inserting here the explicit expression for fct.+^f (13.13.. .

Linear Potentials f dt'.18) into a • different form in order to be able to perform the integration with respect to k.22) We can rearrange these terms in the following way with the ^-dependent contributions contained in a quadratic form: ht 2moi ht 2moi k mpx ht mogt 2h mogt\ 2h J + IX .20) (13. 13.gk— + 2h 3 2?7lo 2 2 h mQgk ^ _ mjfo2 2 -i + ft2 -fcr 2mf)g 03mg £3 .t) as 1 I-00 ip(x.270 and CHAPTER 13.2. With the help of the de Broglie relation this wave vector corresponds to the particle momentum Pt = P — rnogt or to its velocity vt = v — gt.2 Probability distribution at large times Next we inquire about the behaviour of the probability density \ip(x. Such a decomposition is possible only for homogeneous force fields. To this end we convert Eq.20) expresses the wave function tp(x. (13.ut> = Jo t2 g2m0 i 3 k t . ipo(k) is the probability amplitude with wave vector k at time t = 0 and varies in the course of time with the time-dependent wave vector kt = k — mogt/h.21) In other words. 7 u>t'dt' (13.The associated kinetic energy of the particle is -mv+ = huJf.t) as a decomposition into de Broglie waves.o o Jo This result can be interpreted as follows. These wave vectors vary in accordance with Eq. (13. fm0gt\ \ 2h ) (13. The fc-dependent terms in the argument of the exponential are T:=ikX--^{-^fk2+r^k 2rriQig [ n nr (13. (13.t) =-y= dkip0(kt)) exp i< fctx V27T J .19a) exactly as for a falling particle.v = kh/mo.19b) h3 3 we can rewrite ip(x. the relation (13.t)\2 for t — oo (distant future or past).23) .

being now independent of £. Then ip(x. fi > 0.e.18) thus becomes ip(x.28) (for a verification replace a by a + ifi. (13. (13.24) We now set fit / 2m 0 V" 0 V m0a.26) with the formula 1/2 (13./m 0 a.t) = 1 1 oo 271 27T /.t) exp i\ mogxt mox2 — h 2h 2ht mo<?2£3\] r (vn§x 24ft mogt\ (13.26) d£e ie £ kt^ m0' 0.2 The Freely Falling Particle: Quantization The integral (13. 2h h 24ift ' mogt^ r m.27) xd = vt- Thus xc\ is the distance travelled by the particle as determined in classical mechanics. /m0gt\ \ 2ft J ° ) I m09H3 ft J 6ih m0g2t3 _ m0x2" 2Aih 2hti m gt IT / dk^oik t) exp -oo ht k2mo« ~fti 2ft~] (13.25) The amplitude ipoi^t) then becomes for |i| — oo: > 4>o(h) \t\—»oo 4>o[ k \ .t) 1 exp r . (13. rnogt m0g2t3 tX^r~. We evaluate the Fresnel integral in Eq.13. ftf fti m0gt\ 2h J' " J' m0x ht mo5* 2ft + 2mo ~ftT f.QX 2 ^ 0 7 (m. integrate and then take the limit fi —> 0). TOO#A ft and.QX ht V ht 2ft For |i| — oo the definition of £ defines a distance xc\ given by > k i. m0xcl ht m0gt 2h -gt O v: °° 2hti (13. It follows that ip(x.29) . may be put in front of the integral./-oo dkip0(kt) exp l x ixI exp oo .

(13. For x exponentially increasing and decreasing solutions are possible. 13.dA 4>o(h (13.1 A turning point at x = —XQ. For stationary states we set xl){x.33) -oo for E <C \mogx\. this expression can be brought into the following form: if *\ 0 ip{x. xc\).e. These are incoming and outgoing waves.1) has only a continuous spectrum.3) the time-independent Schrodinger equation i^ + ^ [ E + mogx]<l>(x)=0.272 CHAPTER 13.32) For x — oo the function cf){x) behaves like > 4>{x) ex exp exp dx { 2mo (E + mQgx) \ H2 -. . Linear Potentials Replacing here x by the large time value x c i.3 Stationary States In this section we show that the Schrodinger equation with the potential (13. V(x)=-m 0 gx V=E Fig. kt and ut- 13.31) and obtain from Eq. (13.t) = e-iEtlhct>{x) (13.t) ~ W —-exp i V irlt m ktxd J cot.30) We see therefore: The large time asymptotic behaviour of the wave function is determined entirely by the classical values of x (i. 1/2- - ±^(2mlg/h^x^ / 2i (13.

Akx (13.00]. exponentially decreasing. so that ih dtp{k. i.e.e. 1 f01 dketlcx^{k. is therefore called a turning point Quantum mechanically this is a point at which periodic solutions of the Schrodinger equation go over into exponential solutions or vice versa. The Fourier transform is given by the relations (13. cf.34b) It therefore follows from Eq. probability. which is not possible for real particles. (13. but also d 00 dt Eijj(k.e. t). J \ „ (13. i.t). i. H2k3 4>{k) — cexp Ek (13.0 0 dkelkxE^(k. is reflected.35) It follows that /W tm0g \ 2m0 i. We determine the constant from the condition that the continuum solutions are to be orthonormalized to a delta function. we .4a) and (13. its momentum p would be imaginary there. i. Thus the spectrum does not contain states which are normalizable over the entire domain x e [—00.t) — (p(k) > E +^og~Mk) = 1 (h2k2 ^m. Fig. and hence is continuous and extends from —00 to +00. t) = — = / V27T J . The point — XQ. E)dk.e.t) = dt (13.6) that also for 4>{k.13.1.3 The Time-Independent Schrodinger Equation 273 Classically the particle coming in from the right with energy E cannot penetrate into the potential barrier since (where V > E) with conservation of energy E — V = p2/2m. In view of the simple form of the potential in the present case the equation can be integrated in the momentum or k representation. i.36) m0g \ 6m0 with c = const.e. 13.t). at which the classical particle bounces back. t) = Eil)[x.34a) Then d &k 1 f°° ih—il>(x.4b). at which E — V = 0.e. However quantum mechanically this is possible with a small. and we can establish for the resulting continuum solutions the orthonormality and completeness relations.

apart from a constant phase which we choose to be zero.43) y=2^x+2^E.36) (with c replaced by (13. (13. / dE(j)E(x)(t>E(x') = ^ s . (13-40) i. (13. / <>~--ikx VZ7T J (13. In a similar way we can verify the validity of the completeness relation.39) we obtain dkcc*exp m0g It follows t h a t cc = -&(# ..(k) = / J ~oo dx<t>E{x)<\>EI(x) = S(E - E') Inserting (13.37) (eikxdk.L [ dkeikxMk). Linear Potentials OO dx<ffE(x)<i>E>(x) = -oo 8(E-Ef). h? h2 .. so t h a t -oo / <fiE(x) J dke ikx s/2nmog exp m0g \ 6m0 Ai(s).42) The Airy This integral can be rewritten in terms of the Airy function function Ai{s) can be defined by the following integral: 1 f°° Ai(s) = — / eft exp i ( st .e.L dxe-ikx(f>E(x). </>E(x) = .274 have / Using d(x) = — one verifies t h a t with CHAPTER 13.a : ' ) . V 2lT J Mk) = .36) into (13.40)) into (13.e.M *K J-oo Setting dt cos ( -ts n Jo -st).38) we have for <j)E{k): OO /"OO / -oo (13.41) J—oo Next we insert (13.£') = <*(#-£')• 1 27rm0g' = /o . (13. the relations oo /*oo dE4>E(k)4>E(k') = 6(k-k'). i. 13.39) dk4>*E{k)4>E.38).

For a further solution Bi of Airy functions we refer in Chapter 14 to Tables.3 The Time-Independent we can write <J>E{%)'4>E{X) = Schrodinger Equation 275 2ir^/m0g J dkexp h2 yk — -k '2m20gV~ 3 W i t h the substitution k = [it we change the variable to t. . and we shall see t h a t one branch has periodic behaviour. In the next section we derive the important asymptotic expansions of Ai(s) for both positive and negative values of s.^ . For instance dxAi(y / • + x)Ai*(x + z) = 5(y — z).44) is then expressed in terms of the Airy function: ./ 2m 0 E (13.J * . (13.13.^x + ^ E (13.46) This follows since with Eq. (13. so t h a t the integral becomes 4>E{X) = 2vr ^/mQg / n oo dtexp -oo h? * 2m£g y \ 7 5 * " 3 M' Choosing /2mfo\1/3 A= ^ .45) One can now derive normalization and completeness integrals for the Airy functions. and in Chapter 15 in the computation of energy eigenvalues for the three-dimensional linear potential.. the function 4>E{X) i and setting s y = — = 1 . whereas the other is of exponential type. / s M .43) / • '**«(» + * ) * • < * + *) ds dtexp i{s(y —TIT (27 + x)- -s3 ^Y J ds_ f dt_ f J exp — i< t(x + z) -r 2^rJ 2W dxe^-Qe^-^e-U*3-*3) _^Pi(Sy~tz)e-i(s3-t3) S(y = j£j**w -I ^LJt{y-z) 2TT _ We will encounter the Airy function Ai(s) again in Chapter 14 in the matching of exponential W K B solutions to periodic W K B solutions.

o (13.47) Consider the following integral along some as yet unspecified contour C in the plane of complex z: / := i .51b) .51a) and since with sin 30 < 0 also sin(30 + 2ir) < 0: -TT < 36 + 27r < 0. Thus we must have sin30<O.4 The Saddle Point or Stationary Phase Method The integrand of Eq. (13.48) We have $(z) = sre1 1 A S„3i6 -r e sr cos 6 . (13.43) contains the phase (with x — z): > *(*) := sz . We want the integral to exist and so desire that lim e**^ = 0. (13.e. 13. (13.r 3 cos 30 J + i ( sr sin 9 .r 3 sin 30 ). .50) Im z domain (b) / ' ^ ^ ~C domain (a) 0 ^ ^" ~ ^ \ x Zs=-i^S Fig.TT < 30 < 0. i. i. Linear Potentials 13.49) (13. (13.2 The contour C for s < 0 with ends in the angular domains (a) and (b)...f dzJ*W 2TT JC with z = reie.\zz.276 CHAPTER 13. . or -n <6 <--TT o for r -> oo.-TT < 6 < 0 for r -> oo.e.

We now choose the path of integration C at fixed O z = —iy/^s with a e f [—oo.58) . (13.54) where a is the new variable with —oo < a < oo. i. Hence _ 2 / -s)3/2 /•oo 2TT(- s)!/4 doe J—oo -CT2- i*3 3(. 13. at which the phase becomes stationary.2. Then 6S = ±7r/2.51b). provided its ends at infinity satisfy these conditions. we choose zs = -iy/^s.54) i ¥~s)3/2' (13.-z3s and V^s + . oo] as indicated in Fig.45) exists for the contour C.( \ / ^ ) 3 -2z.e. —i ${zs) = szs .S )V2 (13. Such a piece can be found in the neighbourhood of the so-called saddle point zs. so that exp(±2i9s) — 1 and — s — rl.48). (13. where the derivative of the phase function vanishes.57) $"(z s ) = 2% s. 0 = &(z8) = s~zt s = za „2„2i6>.56) 2n(-s)^Jc But I daefr-"?*"^.53) Since we shall have the contour C in the lower half plane.52) = exp(±i-7r) Let s be real and s < 0. Then the ends of the contour lie in the domains specified by Eqs. i. Inserting (13.55) into (13. we obtain da 2KJC (-*)V4 c 1 e **(Zs) exp i{$>{Zs)+l-(z-Zsf<$>"(Zs) + (13. (13. It is reasonable to choose the contour in such a way that only a short piece of it contributes substantially to the integral. (13.51a) and (13. and we set with a real: z := zs + a (-S)V4' (13. and the main contribution to the integral comes from the a region around the saddle point.e. (13. Then Ze TeC : V^se±i7r/2 = ±i\fzrs.55) s < 0.4 The Method of Stationary Phase 277 The integral (13.13.

(13.62) This is the Airy differential equation with one solution 4>{z) = Ai(z).56) decreases exponentially around a — 0 for real values of a. V^s / 4 V3 (13. With the help of the substitutions (13. (13.45) 4>E(X) ~ Ai(z).491. as one can see from the following equation^ ri' + F-fz •2^2.60) The reason for describing the point zs as a saddle point is that the integral in Eq.278 CHAPTER 13. V 2h2 (13. According to Eqs.64) tSee I.2 we show that for s — oo: > Ai(s) 1 . where — with e = (2/h2mog2)1'3 — we have /2^m3g3y/3 x\ = e[E + mogx}. but would increase exponentially for imaginary values of a — thus describing a surface around that point very analogous to that of a saddle. . (13. Ryzhik [122].32) with the solution (13._ 1 .32) therefore becomes dz2 + zd) = 0.42) into an equation with a more appealing form.44) we can convert Eq.63) The Airy function can be re-expressed in terms of cylinder or Bessel functions Zv(z).44) and (13. Sec.59) In Example 13.2/3-2u = 0 (13. We observe that the Airy function has a periodic behaviour in one direction but an exponential behaviour in the opposite direction. > so that Ai(s) 2 v ^ ( . (13. For (—s) — oo the integral converges towards T/TC.61) 2m0E = f 2 \1/3r 2 2 2 fi h \h mog2 Equation (13. Linear Potentials where the contribution oc er3 is obtained from &"'(zs) whose evaluation we do not reproduce here. M.. 8. (13.s ) V 4 exp \(s) 3/2 (13. S. cos . Gradshteyn and I. This is an important aspect in the WKB method to be considered in Chapter 14. 2 s 3/2 .

Hence the saddle points are given by 0 = * ' ( z s ) = s — z2. Choosing the contour C to lie along the real axis. Then. (13.s 3 / 2 - . we obtain f° J-oo dp=--—[a+ i\a\]da.43)) Ai(s) = — [ dzeiit(-z\ *(z): 1 Ai(s).z ± ) 2 * " ( z ± ) . We have therefore r /*0 poo zs = ±y/s = z± / Jc dze^M = / J-oo dze^^ + JO dze^z\ In these integrals we set respectively P with *(z) = #(z±) + i ( z . changing to the variable p.59) and (13._ .^ e ^ / V2 4 [°° Jo dae'2^. Eq. Thus there are two symmetrically placed real saddle points on the real axis. * " ( z ± ) = =F2Vi. .13.4 The Method of Stationary Phase with solution u = z1/2Zi/2/j(7A 279 (13-65) With expansions (13. Example 13.51a) and (13.51b) are satisfied. It follows that for s —> oo: Ai(s) ~ . kl dpe*' = ~e^'4 V2 f° J-oo dae-W2 and f°° dpe'^ JO = . 27T Ic Jc 3 This time s is real and positive. P Introducing a new variable a by setting p = a-i\a\.60) we have thus obtained (with the help of the saddle point method) the asymptotic expansions of the Airy function Ai(z) which play an important role in Chapter 14.. cos | .2: Periodic asymptotic behaviour of the Airy function Obtain with the saddle point method the asymptotic large-s behaviour of the Airy function Solution: We have (cf. the conditions (13. with *"(z) = -2z.

/ " ( z o ) = —n/z2 = —1/n. the method of steepest descent evaluates the integral -J^dz by expanding f(z) about its extremum at ZQ with z — ZQ = ix. and hence integrating as described above through the saddle point indicated in Fig.280 CHAPTER 13. Solution: Briefly.e. i. .3 The saddle point at z = n + ix.111). since f'(zo) = 0 and (z — ZQ)2 = —x2.3: Derivation of the Stirling approximation of a factorial Obtain with the saddle point method from the integral defining the gamma or factorial function the Stirling approximation. 13. ~ ef<-z ex 3f(*)dz / -x2f"(z0)/2 dx = i 2TT P/(*o) -c The gamma function Tin + 1) or factorial function n! is defined as in Eq. Then. n!= / e~zzndz= / e~z+nlnzdz. ^/2-KJW1. Linear Potentials E x a m p l e 13. Jo Jo \ . one obtains n! ~ where we used f^° dxexp(—w2x2/2) = V2^nn+1/2e-n.dz = idx (observe that this implies an integration parallel to the axis of imaginary z through the saddle point).3. Thus here / ( z ) = — z + n l n z .*.Be 2 Fig. z o = n . (11. 13.

N.e.§ Our main interest here focusses on the use of the method as an alternative to perturbation theory (supplemented by boundary conditions) and to the path integral method so that the results can be compared. Kramers [153] and L. *R.* The method had.295. the linkage of solutions above a turning point to those below. Wentzel [282]. Brillouin [37]. ^ The central problem of the method is the topic of "connection formulas". The central issue of WKB solutions is their continuation in the sense of matched asymptotic expansions across a turning point (i. § See e.g. 281 . for misunderstandings pp. Froman and P. Froman [99]. been developed previously by others in different contexts. 292 . The WKB method we consider in this chapter is a precursor to our uses of the path integral method in later chapters in the sense that the expansions are around the classical limit.* Descriptions of the method can be found in most books on quantum mechanics and in some monographs. O. 316 . where *G. A critical overview of the history of the method. named after its first promulgators in quantum mechanics: Wentzel.e. Dingle [70]. It goes without saying that such comparisons are very instructive. ' T h e most prominent earlier expounder is H.1 Introductory Remarks One of the most successful methods of solving the Schrodinger equation is the WKB method. For the history see pp. Kramers and Brillouin. B.Chapter 14 Classical Limit and W K B Method 14. H. of misunderstandings and other aspects may be found in the monograph of Dingle. i.317. A. The WKB result is therefore frequently described as the semiclassical approximation. Jeffreys [144]. will there be that of a coupling parameter. however. and the role played by h in our considerations here.

282 CHAPTER 14. (14. the function S being called phase function.g.7.2) dip(r = I VA{v) + ^ ( r ) V 5 J eiS^lh. Classical Limit and WKB Method E — V changes sign). • {VA + %-AVS [ h B iS(r)/ft +^{vS-VA+^A(VS)2 *See e. the derivation in Example 18.* We illustrate the use of this condition by application to several examples. the energy has a definite value E with V(r.3) .2 Classical Limit and Hydrodynamics Analogy In this section we consider the limit h —• 0. A(r) and S(r) being real functions of r. for which the observation of position and momentum is independent of the time at which the observation takes place. so that _ Aip AA+^V• h AA+-CVAn (AVS) + IVS h VS + AAS) iS(r)/h (14.t) = e-iEt/h7P(r) and \V(r. It is for these states that one obtains the time-independent Schrodinger equation A^(r) + ^ [ E .V(r)]^(r) = 0. 14. We start from the Schrodinger equation ih <9* =HV at with H=-£— p2 2mo + V(T). It is then possible to derive in a general form the relation known as Bohr-Sommerfeld-Wilson quantization condition. V>(r) = A(r)eiSWn.1) (14.t)\2 = \iP(r)\2. We shall see that in this limit the > Schrodinger equation describes a steady stream of noninteracting Newtonian particles. For stationary states ^/. In this equation we set.

1) and separating real and imaginary parts.6) 2mo dt now with A also a function of t.t) = and obtain dA i_dS_A + dt h~dt 2 h r A(VS)2 AA h2 2mo ih A(r.Q A 2i 8A 1 (14. We can identify Eq.11) We define as probability current density the vector quantity J:=K where V* = ijf* -V* rnio i_ „ *.14.* -VA-VS+-AAS + V(r)A.12) VA A (14.5) Apart from these we also wish to consider the equations that follow in a similar way from the time-dependent Schrodinger equation. V(r.13) . These equations are equivalent to the Schrodinger equation. (14.V(Y) + and 2VA • VS + AAS = 0. h h (14. h h Taking real and imaginary parts of these equations we obtain the equations: + dt and 2rriQ 2m.2 Classical Limit and Analogy with Hydrodynamics 283 Inserting this into Eq. (14. (14.t)eiS{r't)/h.10) with a continuity equation by defining as probability density p:=*** = [A(r. (14.7) h2 AA 2mo A 1 (VS)2 2mo = 0 (14. we obtain the following two equations: E . h2 ih— = H$ A + V(r) * .4) (14. We set in this equation.t)}2. (14.+ VA-VS + -AAS = 0. (14.10) m 0 ^ .

284 CHAPTER 14. (14.15) and (14. (14. (14.16) BA 1 moA—. %(1"1' I<-2) and V J = — V • (A2VS) mo Prom Eq. Since we obtained this equation from Eq.10).+ AVA • VS + -A2AS = 0. we have mo—(A2) + V(A2)-VS + A2AS = 0..21) . ot 2 Multiplying this equation by 2 and recalling that the function A was introduced as being real. (14.16) this becomes m 0 1 rr + m o V . i-e. mo <™> (14.19) m0 m0 it is suggestive to define the following vector quantities ± = at v := I p = J-VS.17) With Eqs. the implications of this equation are also those of the equation of continuity. Classical Limit and WKB Method This means # * — V * = — AVA + — and so J = — A2VS. (14. (14. .J = 0. (14.18) ot ot This is the equation of continuity that we encountered already earlier.9) for the phase function S.14) A2VS. TTIQ (14.9) as 9S 1 -mo^ 2 + T. (14.20) With this we can rewrite Eq. m0 But now (14. Next we investigate the significance of Eq. Since J = — A2VS = -P-VS. ^ + V • J = 0. + h2 AA V = — ^ .01. (14.n.10) we obtain = — [V(A2) • VS + A2AS}.

The particles have no interaction with each other. We see therefore that in the limit h — 0 the particle behaves > like one moving according to Newton's law in the force field of the potential V. One should note that in no way do we simply obtain the classical equation of motion from the Schrodinger equation in the limit h2 — 0.20). The equation of continuity then describes the stationary flow of a fluid. This result is very general. we obtain ^ V 5 + | v ( v v ) + V V = 0. Such series are typical for expansions in the neighbourhood of an essential singularity. V • J = 0. and hence''' ^-(m 0 v) + m 0 (v. a singularity different from that of a pole). An expansion in ascending powers of h therefore starts with contributions of the order of 1/h2.25) dt We recognize this equation as the classical equation of motion of the particle of mass rriQ. (14. which for very small values of h yield the dominant contributions. v dt dt so that the equation can bedt written dr dt ~(m0v) + W = 0.14. r o t v = ( l / m o ) r o t g r a d S = 0. . i.e.2) for the probability amplitude. > The motion of the particle or rather its probability is altogether given by the above equation of continuity. However. We deduced this equation solely from the phase S in the limit h — 0. This is the analogy of the Schrodinger equation for h2 — 0 with hydrodynamics.24) d 1 dr d •— = d Lv _ . 'Recall the formula V ( u • v) = (v • V ) u + (u • V ) v + v X rotu + u X rotv. (14. that the quantum theory implies an essential singularity at H = 0 (i. In the first • place we require the ansatz (14. d — = (14. where. with the help of Eq. they are asymptotic expansions. so that V ( v • v) = 2(v • V ) v + 2v x rotv. This means. This expression with h in the denominator shows.23) (14.1/h. the wave function \I/ describes effectively a fluid of particles of mass mo. > In the case of stationary states we have dp/dt = 0 (which is analogous to the condition of stationary currents.e.2 Classical Limit and Analogy with In the limit h2 — 0 this becomes > Hydrodynamics 285 ^ + W 2 + F = 0. or that of equilibrium in electrodynamics) and dS/dt = —E (from ^ oc exp(—iEt/K)). dt 2 Constructing the gradient of this equation.V ) v + V 7 = 0.22) (14.

As remarked at the beginning.[E-V(x)}y = 0. §We follow here partially A. h2 l 2m0 {E-Vy corresponds to an expansion in decreasing powers of (E — V). is an asymptotic expansion.1 The W K B Method T h e a p p r o x i m a t e W K B solutions Without exaggeration one can say that (apart from numerical methods) the method we now describe is the only one that permits us to solve a differential equation of the second order with coefficients which are nontrivial functions of the independent variable over a considerable interval of the variable.4) and (14. such as "Liouville-Green method' and "phase integral method'. i = eiW(-x^h.$ The basic idea of the WKB method is to use the series expansion in ascending powers of h and then to neglect contributions of higher order. 6.28) The calculations we performed at the beginning imply the following equations (compare with Eqs.26) We observe already here that an expansion in rising powers of k. or h2/2mo(E — V). 318.27) (14. Messiah [195]. z (14. (14.2. p. the method is widely familar under the abbreviations of the names of Wentzel. i.5)) and 2 ^ f dx ax + All=0.e. (14. similar to our earlier procedure with A and S real functions.3 14. Classical Limit and WKB Method 14. This means that the WKB method can make sense not only where one is interested in the classical limit but also for E — V(x) and hence E large.30) ax *For details see R. Kramers and Brillouin. . There are also other more specific descriptions. B. We set.In A(x).§ y = A(x)eiS^'h where W(x) = S(x) + . Sec.286 CHAPTER 14. (14.3. We consider the one-dimensional time-independent Schrodinger equation y" + ^. The expansion in powers of h2. Dingle [70].

33) 3 (S")2 .32) s" = sz + h2s'( + •••.35) .31) \a. Since the expression (14. + (14. (14.V) = h2 In the WKB method one now puts S := S' = S0(x) + h2S1(x) + (h2)2S2(x) S'0 + h2S[ + ••• .36) Equation (14. Integrating this second equation we obtain ll[dX so that = -\l^dX' A = c(S')" 1 / 2 . (14. (14.32) is therefore (S'0)2 + 2H2S'QS[ . (14.30) corresponds to the equation of continuity (i.28).V) and (14.\ In S'. Li This expression can be substituted into Eq.29) becomes (note that this is still exact!) (S')2 . r//\ 4V^ 2 Up to and including contributions of the order of h2 Eq. Eq.35) can be integrated.4 (S>)2 1 S'" 2 S> (14.34) Equating coefficients of the same power of h we obtain (S'0)2 = 2m0{E .10)).A = const.3 The WKB Method 287 Equation (14.e. (14.2rn0(E -V) = h2 lS'A 2S'0 (14. 3 / 5 .2mQ(E . . But first we note that: A dA dx2 2 = c{S')-ll\ = A 15^ 2 S' + ^ = A ax 3 (S") 4 (S')2 2 2 S' With this Eq.14.

(14. 1 S e e R. B.38) h y/2mo(E-V)' (14. y = c'{k)1/2 exp or y(x) = a \ A ( z ) cos I / dx W) dx + 13). The solution is seen to be periodic provided k(x) is real. (14.19). (14. and instead is asymptotic which we shall not establish in detail here.39) where a and /3 are constants.' For the expansion (14. E > V(x). it is reasonable to set (cf.27) we obtain now with Eq.and So = ±h / — — A J k(x (14.41)? We note first that the expansion in powers of h2 does not converge. we expect that in any case So » ft2Si.288 CHAPTER 14.33) to make sense as an asymptotic series. For V(x) > E (this is the classically forbidden domain) we set l(x) = -^==^====. . (1. i. p = h/X) k{x) :-Then S'n +.40) rx dx v "7 W)\.31): y = exp = ~ ~iW(x) h exp L nH™ exp ^S . Eq. y/2mo(V(x) .E)' Then y(x) = V^(a 7 exp dx + 6 exp T(x) (14.e. Chapter XIII.39) and (14. Classical Limit and WKB Method has the form of a momentum.41) We now ask: What are the conditions of validity of Eqs.37) For Eq. (14. Dingle [70].I In S' + In c h 2 2 2 exp ^{S0 + h Sx) .± ln(S'0 + h S[) + In c (s'0y/i and hence exp :5 0 + 0(h2). (14.

1 / 2 ]" [-§0SS).36). Since k(xy 1/52\S'0 (14. we obtain -1/2 -1/2 2S[ and hence ±2hS[ = [kL/2]"kL'2 = lk~1/2X = Al/2 [lA-l/2A//_lA-3/2(A/)2lAl/2 so that It follows that (14.42) [(^).43) The condition So 3> ^2<Si therefore implies that /f>^-i/-^)k = H/y/2m0(E is sufficiently small. E > V(x).V{x)) ^ This condition is satisfied provided E or E — V{x) is sufficiently large or (14.3 The WKB Method We have 289 S0 = ±h and Si follows from (14. Setting R := |A'| = \moKV'{x)\ \2m0{E-V{x)\W .3/2 s&T + 3 {So Il« we have (cf.14. Eq.45a) .36)) 2s'0s[ = [(s&r 1/2 ra) 1/2 With S£ = ±ft/A. (14.

48) The (dominant) WKB approximations are exact solutions of this equation. the WKB approximation is in general invalid (see below). We can derive the equation whose exact solutions are the WKB approximations of the Schrodinger equation. (14. and hence (with UIQ = 1/2. In a similar way we have for E < V(x): l'(x) <C 1.3. around the classical turning point. *2 A(z) = V / 2m 0 (£ . h = 1) . i.V(x) = V(a) . (14.48) behave in the neighbourhood of such a point called "turning point'. (14. Classical Limit and WKB Method we can rewrite the inequality (14.V{x) ~ -Or . In terms of X the original Schrodinger equation is y" + -= y = 0.a)V'{a). How do the solutions of Eq. V(x)) (14. at which E — V{x) changes sign? We note first that in this case near x = a: E .2 Turning p o i n t s a n d m a t c h i n g of W K B solutions Let x = a be the value of x at which E = V(a).290 CHAPTER 14.e. In the neighbourhood of E = V(x).46) The desired equation has the solutions y(x) = aXll2 exp ±i dx / (14.45b) so that the condition So » h2S\ is also satisfied by demanding that i ? C l . Roughly speaking one therefore requires E to be large in both cases.44) as Idxsj2mQ(E-V{x))l 1 + ^R2j » ^Rh.47) Differentiating this twice — we omit the details — we obtain the equation y" + l A2 (A 1 / 2 )" *i/2 y = o. 14.

a ) 9 / 4 ' 291 (v^r 1 (x — a>2- These relations imply that Eq.3 The WKB Method with the derivative relations 1 1 -a)5/4' 4(x 1 5 16 (x-. We define solutions ?/i and ?/2 with branches to the left and to the right as follows (for . The transition is provided by matching relations. in the domain E > V the WKB solutions are oscillatory.e.3.48). which connect one domain with the other.1. and on the other side.48) possesses a singularity of the form of l/(x — a)2 at every turning point x — a. 14. We shall not derive these conditions here in detail but rather make them plausible in Sec. (14. (14.3 after stating them first here. In the immediate neighbourhood of such a point the Schrodinger equation can therefore not be replaced by Eq. V=E Fig.14.1. since this requires different approximations there. It is therefore necessary to find other solutions in the neighbourhood of x = a and then to match these to the WKB solutions in adjoining domains as indicated in Fig. We assume we have a turning point as indicated in Fig. 14. in the domain E < V the WKB solutions are exponentially increasing or decreasing.1 The regions around the turning point at x = a. 14. As indicated in Fig.1 there are WKB solutions on either side of the turning point and some distance away from it. i. 14. 14. On one side.

one could simply replace everywhere /•a / pa • • • b y / Jx J x . (i x dx 7T ~~k~ 4 / One should note t h a t the solution ^4?/i + By2 for A ^= 0.51) It can be shown t h a t the second W K B matching condition in the opposite direction (and for the potential rising from right to left as in Fig. as in Fig.52) For a potential rising from left to right. has the same asymptotic behaviour in the domain i « a a s Ay\.1) is given by the following relation with the + sign in the argument of the exponential on the right and no factor of 2: VACOS I / —.1) is then: VI exp {~[T) Vxcos fx dx TV Ja ^ _ 4 (14. Note also the extra factor 2 in yi.292 CHAPTER 14. a interchanged. (14.50) x S> a. (14.H— J =^ v/exp + m (14. 14. in order to make the formulas independent of whether the potential is rising or falling. 14. This means the asymptotic part suffices only in t h e exponentially decreasing case. Thus. however with the limits of integration x. and E ^ V for a ^ x the same formulas apply with the same direction of the arrow.49) x 3> a -Vxsin and 2 exp V2 VACOS (L X dx A ra dx X for for i « a . Classical Limit and WKB Method definiteness note the + signs): Vtexp yi ~ S + Jx I X for for i « a . The first W K B matching condition in the direction indicated by the arrow (and for the potential decreasing from left to right. P u t differently: We could add a lot of contributions to Ay± without affecting the asymptotic form of Ayi.

a). (14. Therefore we consider now this original equation in the domain around x = a.2 The overlap regions around the turning point at x = o. i.3 Linear approximation and matching How do we arrive at the matching relations given above? We observed above that Eq. the equation becomes approximately y" = (xa)xiy.Airy overlap* Fig. (14. 14. Thus around that point we can not use the WKB solutions and hence have to find others of the original equation (14. as we saw.53) Since at x ~ a.51) — always with the decreasing exponential on the left — is valid in both directions. 2 1 X (14.46).54) . the equation V approximately linear around turning point V=E Airy solution WKB . whose exact solutions are the dominant WKB approximations. is singular at a turning point x = a.48).14. the matching relations have to be altered accordingly.3. One should remember that the matching relations above are those for the dominant terms in the WKB expansion. y" + Toy = o. 14. If higher order contributions are to be taken into account.3 The WKB Method 293 In that case Eq.e. 1 ~ (x . (14.

or M.a)3/2 ^ /2 =^ 3/2 o Q. (14. p. or to the literature:H 3/2 2^{-zy/* Ai(-z) ~ < ~~FL~T77 y/TTZ1/* 1 1 s e -K-*) n for ~. B.291. i I 77-2 \3 + > for i-a>0. In the following we require the asymptotic behaviour of the solutions Ai(—z). formulas 10. Cf.1 / 4 by \^.a)X\/3.4. (14. Stegun [1].56) We have discussed some aspects of solutions of this equation in Chapter 13. Abramowitz and I. as > may be seen by referring back to Eqs.59).60). > for a.55) the equation becomes the Airy differential equation d2y dz2 zy. . (13. J (X (i4 58) - Replacing in Eqs.^ 4 I 7T x — a <C 0.57b) To the same degree of approximation as the equation y" = (x — a)xiy. 448. A. (14. Dingle [70]. p. (13. R.Bi(—z) for \z\ — oo.57a) and (14. we have r x * f x ' /2(x -a)i/2d*=^(x . With the substitution z = (x . This is given by the following expressions.57a) COS 2^2/3 _ SZ 1 1 ?(-z) /2 3 es^ Bi(-z)~< 1 1 for x — a -C 0. In particular we encountered a solution written Ai. A second solution is written Bi. (14.57b) UV2 3 11 by J dx .294 CHAPTER 14. — a ^> 0. (14.59-60. Classical Limit and WKB Method where xi is a proportionality factor which we choose to be constant.

At and around the turning point the solution of the Schrodinger equation is therefore given by Airy functions. by Ai(z). Example 14. 14. In the neighbourhood of a turning point the Schrodinger equation becomes an Airy equation (in the leading approximation).52). In this sense we have now verified these relations.. These solutions. As an illustration of the use of the WKB solutions we apply these in Example 14.59a) . In the direction to the left as indicated in Fig.51) and (14. n = 0.(-zf2 by J we obtain the matching relationsX (14. e.3 The WKB Method and 295 •. We summarize what we have achieved. however. (14. we enter the domain of validity of a WKB solution. The latter domain is a small region where the solutions from either direction overlap.1 to the quartic oscillator.l v/2m0(E-V(x))dx 7r = (2n + l)-.2.14. 14.3 The anharmonic potential well.g.2. and hence must be proportional (in view of the uniqueness of the solution there). As we approach a limit of this interval in going away from the turning point. are only valid in a small interval around the turning point at x = a as indicated in Fig. 14. In this way different asymptotic branches of one and the same solution are matched across a turning point.l.1: Quartic oscillator and quantization condition With the W K B matching relations derive for the case of the quartic oscillator with potential V{x) = x 2 + x4 the Bohr-Sommerfeld-Wilson quantization condition given by rb dx 1 fb i / — = . F T' dx (-Z)-1^ by ^ harmonic oscillator V=x 2 +x 4 V=E linear approximation Fig.1 the Airy solution becomes proportional to the exponential WKB solution and to the right to the trigonometric WKB solution.

3.y o dx TT T provided 6 _ 4 /. Here we are interested in the discrete states (the only ones here).b). . i. (14. (14. whereas the approximation of the eigenvalues by comparison with the harmonic oscillator in the domain of the minimum. Hence we search for solutions which are exponentially decreasing in the far regions. as in the case of the harmonic oscillator itself.. We argued earlier that the WKB method is suitable in the case of large values of E.3. Then around these points the potential would be well approximated by a linear potential (as we saw above). (14. One can also express this by saying that the linear approximation of the potential around the turning points must extend over a length of several wave-lengths and is therefore valid for large values of n. .60) Using the matching relation (14. ^ A = (2n + l ) . (14. 14. I " ' (-K rx dx iz\ _ ( (b dx_ 7T _ fx dx _ • f / fb dx\ f* dx\ ( fb dx\ . Classical Limit and WKB Method where x = a. According to Eq.^ .2. yz{x) = -c'vlexp ( [x dx\ I — / — ) for x 3> b. regions 1 and 3 in Fig. . j/i. b are the two turning points. Let E = V(x) at x = a and x = b.(x) = c ' v Acos I / — I for a < x < b. /n = s u ^ TJcos^--ya TJ+cos^a T J .61) Evidently these functions have to continue themselves into each other (since the wave function has to be unique). The potential now has to be inserted into this condition and the discrete eigenvalues En of the problem are obtained. 14. 2 n = 0. In these domains the dominant WKB approximations are 1 /j/i(x) = -cVlexp / fa dx\ I —/ — \ r for i « a.51).. In order to see this we consider r dx TT\ _ Jx T " 4 J ~ COS / r" dx_ _ Via ^""1 ^~4J" COS Ua I + 4 ~ i ( .l. Sometimes this distinction becomes imprecise.296 CHAPTER 14.62) The condition for this to be exactly satisfied is — as we show now — that the Bohr—Sommerfeld— Wilson quantization condition holds and c' = ( — l ) n c . 1 . 2 . . Consequently only the lowest eigenvalues would be reasonably well approximated by those of the harmonic oscillator. (14. In the neighbourhood of the minimum at x = 0 we could approximate the potential by the harmonic oscillator. the continuations of these functions into the central region 2 are: ya(x) = c v A c o s I / J. . The condition for this is ya{x)=yb{x) for xe(a. Expressed as an integral over a complete cycle from one turning point back to it the relation is: <b dx^2m0{E-V(x)) = (n+-jh. n = 0 .44) this implies large values of n.e. extends only over a length of very few wave-lengths and is therefore valid for n small. The corresponding eigenfunction would be approximations of the proper eigenfunctions around the origin.59b) Solution: We consider an anharmonic potential well as depicted in Fig. for which the WKB approximation surprisingly yields already the exact energy eigenvalue as one can verify by evaluating in its case the Bohr-Sommerfeld-Wilson rule.

. The corrected form* is. (14. n = 0. equivalently.1. 2. . with n — 0. This relation is sometimes wrong.4 Bohr—Sommerfeld—Wilson Quantization A quantization condition which is very useful in practice and in a wide spectrum of applications is — and remains in spite of its old fashioned reputation — the quantization condition established by N. . In this so-called "old quantum theortf (i.x number of turning points h. 14. A.14. ri2 I Jqi :pdq n + 1 — . Sommerfeld and W. before Heisenberg's discovery of the canonical algebra and the formulation of the Schrodinger equation) this condition was always given as §pdq = (n + l)h.63a) or.e. Bohr. B. and knows of no published form or script. .1.64) (14. pdq = n + 1 — . Consider the Schrodinger equation in the abbreviated form d2iP(q) dq2 f(q)t/>{q) = 0. (c) V Fig. (14. Dingle.4 Bohr-Sommerfeld-Wilson Condition 297 14.4 Three cases with different pairs of zeros.x number of turning points TTH.63b) *The author learned this in lectures (1956) of R. Wilson by supplementing classical mechanics by Planck's discretization. 2 . .

this is a trigonometrical zero. 14.4(b). In quantum mechanics we have dq2 + Ki/j(q) = 0. together with q — — oo. where /(g) is negative. -0(g) ex .51) the linkage between the trigonometrical and the exponential solutions across the position go in space at which /(g) = 0. 14. Case (a): The case of two trigonometrical zeros.298 CHAPTER 14.66) J<1\ Thus in this case the so-called old quantum theory is correct. We have the case of trigonometric solutions.67) Case (b): Next we consider.e.e the relation (with a shift of TT/2) 1 2/V4 exp Jqo f9^W)dq 1 1 1 4 (-Z) / sm Jqo (14. i. where n —-. i. i. if /(g) is negative.65) We use the knowledge of these solutions to find the eigenvalues of the equation. as illustrated in Fig.4(a).e. Jqi ^ fpdq J =2 pdq = (n + l)h. Before we continue we recall from Eq. the wave function is to vanish at points q = q\ and qi with the function /(g) remaining negative in between as illustrated in Fig. this means dqyf—f = (n + l)7r. The WKB Method One pair of solutions is (as we know from the earlier sections of this chapter) tpT(q) oc 7T7Iexp 1 sin (_J)l/4 Cos 1 = JdqVJiq) F if f(l) is positive. where /(g) is positive. —/ = K J h It follows that / pdq = (n + l)Trh= -(n + l)h. (14. this is an exponential zero. i. / • n an integer > 0. (14.e. the case of tp(q) — 0 at q = gi. There are three cases. In this > case the wave function for g > go is . Since sine and cosine have zeros spaced at intervals of TT. (14.

3.69) pdq = (n + l ) " 4 h. or Pdq (n + l ) " 2 h.14.2: The harmonic oscillator Use the relation (14.2 and 14. (14. Thus in this case the so-called old quantum theory is wrong. ri\ / J do y/-f(q)dq (n + 1) 1" (14.e.70) We can therefore summarize the results in the form of Eq. Solution: As in the case of the quartic potential. i.4(c). (14.4 Bohr-Sommerfeld-Wilson This will vanish at q = q\ if rii / V^f{q)dq+j^ Jan It follows t h a t i 4 Condition 299 = {n+l)TT. ^~f(q)dq Jqo LJqo + -7T J'% On fq / i 1 V~f(<i)dq-j-K (n + l)7r.63b). Case (c): Finally we consider the case of i/j(q) = 0 at q = ± o o exponentially as illustrated in Fig. 14. Hence we have pdq= i n + - .63b) to obtain the eigenenergies of the quantized harmonic oscillator. Hence we obtain the condition I'o V-f(l)dq 90 (n + 1) IT. the sines must be proportional.63a) or (14. the wave function for q < q'0 must be proportional to ri'o (-Z) / 1 4 sin J V W)dq+^ Z i • oc (-7) 1 / 4 sin / y/~f{q)dq . E x a m p l e 14.68) (14. For the wave function to be exponentially decreasing to the left of qo and using Eq. i. (14. and • • for the wave function to be exponentially decreasing to the right of q'0. this is the case of two turning points.67): • the wave function for q > qo must be proportional t o (-Z)1/4 sin [ ^W)dq+->x Jqa .-77T (where we reversed the order of integration to obtain a positive integral and multiplied through by minus 1). As illustrations we consider Examples 14. Therefore their arguments differ only by (n + l)ir. Since both cases refer to the same region qo < q < q'0.e.

The WKB Method this requires evaluation of the integral with qi = ^' E/2-K2mQu2 / 2 m 0 ( B . as illustrated in Fig. ^Thus a trigonometrical zero is the condition of absolutely no penetrability beyond it.V(q))dq The result is E/u. Calculate its quantized energy.2 3 J x (n + 3 / 4 ) 2 / 3 . in principle.2 . 14.5 A particle above a flat Earth. and h = 6.28 x 1 0 .3: A particle in the gravitational field A particle of mass mo is to be considered at a height q above the flat surface of the Earth. permit this although with rapidly diminishing probability.300 With potential V(q) = 2ix2mov2q2. g = 9. . Example 14. so that E = hu{n + 1/2). Solution: This is the case of one trigonometrical zero of the wave function ip at q = 0 and an exponential zero at q —> oo.71) For m 0 = l x 1 0 _ 3 k g . :: V=m0gq Fig.5.63 x 10~ 3 4 J s . Thus there is one turning point at E = mogq. 14. whereas a turning point does. one obtains E ~ 2. where g is the acceleration due to gravity. 4 / x CHAPTER 14.807 m s . t Hence we have the case of the integral J> pdq (n + 1 ) - Inserting the potential this becomes fqo=E/™0g 2 / dq^2mo(E Jq: Jq=0 Evaluation of the integral yields the energy 1/3 2/3 — mo m) • (n + 1) En = ( — m0g2h2 n+ • (14.

73) Jx! rp2a dx I^-<E -2 v) = ^ n — = . E x a m p l e 14. 9 . h M0 _h 1^3/a ~ 4 0 / 2 J V \ 3 _ 2N3 \M0) ~ ~Ml ' . Solution: The proof is contained in Example 18. In the case of screened Coulomb potentials (cf.72) \\2dxp=Qdx^{Eh Hence.74) p hjtl *2 —t\ _ mo f 2-rr 2-K J" X2 dx p~ ~ d dE For a period T from x\ to X2 and back to x\ this implies T 1 mo / d a .4: W K B level splitting formula Derive from the WKB solutions of the Schrodinger equation with symmetric double well potential the WKB level splitting formula A f B £ = .= — <*— = h(n+-\.5: Period of oscillation between two turning points Use the Bohr-Sommerfeld-Wilson quantization rule to obtain for the period T of oscillation of a particle of mass mo between two turning points the relation T 1 m0 f dx d ( — = .) M0 N = l + n+1 : + • 2-/B Hence dE K 2 d dE[ M0 2VB.( 1 — = — = it — = h\ n H — 2TT OJ 2-K J p dE V 2 In the case of the harmonic oscillator we have hi n E (14. and u> is the oscillator frequency in either well.75) which verifies the formula immediately. 1 . 2TT W 2-K J p dE V where p = ^/2mo{E Solution: We have — V).2. with p = modx/dt. Chapter 16) one obtains the quantization relation (for Mo = const.5 Further Examples E x a m p l e 14.14. (14. d dE V)={n+-)n.f V ft h JXl h 2TT (14.l. ra 2/ = 0.5 Further Examples 301 14. (14.AE(q0 2 = 2n + 1) = — exp 7r dzy/-E -zn + V(z)/h where q=zo are the left and right barrier turning points.7.

6 The cubic potential. (11.78) (a) We determine first the three turning points at qi = <?i.79) . Solution: The potential has a finite minimum at q = 0 and a finite maximum at q = 2a2/3 as indicated in Fig. Example 14. and (b) evaluate the WKB exponential exp[—2/b arr j er ] and the WKB prefactor 2/ w e u.302 and T CHAPTER 14.y2)(y . where 1 2 • 1 2 y = Q. 14. q = y+ -a . where .76) in agreement with the result obtained from the classical Kepler period for the Coulomb potential (cf. Eq. It follows that the energy between the minimum and this maximum lies in the range 0 < E < £ m a x = ^aSb2. Fig. The q -term in this equation can be removed by transforming the equation to a cubic in y.6.77) Determine (a) the turning points.133)).y3) = 0. The WKB Method ^ 2 JV 3 2TT ~ ~Mjf (14. (14.-a . which determine the imaginary part of the energy.~ \ (14.<?2i<?3 for E > 0 given by E — V = 0. 14. i.e.6: WKB method applied to the cubic potential Consider the cubic potential V(a)=1-b\\a*~q). The equation E — V = 0 then becomes after a few steps of algebra y3 ~ Py + Q = (y P = ^ a 4 and Q = 2 ^ yi)(y . (14.

82) In o r d e r t o d e t e r m i n e t h e r e l a t i v e p o s i t i o n s of t h e r o o t s qi.k 2 2tan# \/3 + tan! .81) m a 91 .cos 0 + cos(6> + 120°)] = a2 92 .g i < 1. B y r d a n d M .c o s O + cos(6» . (14.{ V 3 e } > 0.2 c o s 0 ] .1 / 2 .83) T h e i n t e g r a l m a y n o w b e e v a l u a t e d w i t h t h e h e l p of T a b l e s of I n t e g r a l s . we set 0 = 60° — e.84) 92 .q)(q .2/3 i n t o q = y + a 2 / 3 . a n d t h e a n g l e 0 = 0° t o E = £ m a x . p . i. § T o h e l p we cite H.14. T h u s we c a n n o w w r i t e t h e W K B i n t e g r a l from > o n e b a r r i e r t u r n i n g p o i n t t o t h e o t h e r as (recalling t h e factor y/2/b in front of E in E q .< 1. a n d e x p a n d t h e r o o t s in p o w e r s of e. (14. f o r m u l a s 236.ui=K(k). (l_fc' 2 a + fe'4)l/4. 93.' : ± 6 0 ° w h e n E = 0.2 c o s ( 0 .85) T h e angle 9 = 60° c o r r e s p o n d s t o E = 0. T h e r e f o r e E = 0 c o r r e s p o n d s t o fc2 = 1.§ ( c o s 0 ± \ / 3 s i n 6 0 a n d § sin 6 sin# (14. 91 < 93 < 9 < 92(14. O n e o b t a i n s t h e o r d e r i n g in F i g .1 2 0 ° ) w i t h 0 < 6 < 60° for 0 < E < £ .08. 212. F .= s i n t 3 v 3 (14.78)) c o s 30 •• 4P3 ( ' \ aeb2} .120°)] = a 20? 2a2 3 2a 2 • cos 0 - 91 . p . p . p . (b) W e see t h a t gi a n d 93 m e r g e t o 0 w i t h e — 0. H e r e cos(<9 ± 120°) = .9 2 [ .0^-6O°.2 c o s ( 0 + 1 2 0 ° ) ] . W e o b t a i n ^ -fbarrier : = 6(92 ~ 9 3 ) 2 ( 9 2 .93). g 2 ~y{3}>0. (14. M i l n e .9 l ) f f / du s n 2 u en2 d n 2 u . 0<6O°.79) a n d t h e n s e t t i n g m o = 1.6. 92 = -a2[l . e > 0. _ \ / 3 — tan(9 2 V92 .04.80) I n s e r t i n g t h e r o o t s yi.e. B .g i ) ( g 2 .5 Further Examples 303 T h e r o o t s of t h i s e q u a t i o n a r e k n o w n * a n d for 4 P 3 > 27Q2 a r e r e a l a n d e x p r e s s e d in t e r m s of a n a n g l e 6 given b y (observe t h a t w i t h t h e choice of t h e m i n u s sign. ui=sn 1 \l—- — = l. ' P . V3 + t a n 0 2 .c o s ( 0 + 12O°) + c o s ( 0 . gi ~ y {-V3e} < 0. 14. h = 1) ^barrier := / d( }J-^2~(E~v) = ^~= dq^/(q . (14. W i t h t h e o t h e r i n t e g r a l from T a b l e s we o b t a i n (K(k) b e i n g t h e c o m p l e t e *L.93 2a2 [ . q3 ~ | . q3 = -a2[\ .T h o m s o n [196]. 78: sin 120° = v ^ A c o s 120° = .\tan0^ v/3. D w i g h t [81]. 80 a n d 361.120°)] = .9 3 — = = 2 " 3 " [ . 6 = 0 i m p l i e s E m a x of E q . . M .9 3 a n d t h e elliptic m o d u l u s k a n d t h e p a r a m e t e r g a r e given b y k2 k'z = 92 — 93 _ 92 . D . tan60°=%/3.3/2. 92. 37.gi = 1. V cose' + sin 8 (14.a 2 [ l . F r i e d m a n [40]. we h a v e qx = .

The WKB Method elliptic integral of the first kind. we obtain in the limit of E = 0: j d ( ^ ( E „ y ) = 2/barrier = ^ ! . Byrd and M. E(u) the incomplete elliptic integral of the second kind.91) a2[cos0-^] y/3-tanfl ? L .00. G(fc) =86aS (ITS£ li[fe. (14.91 F(TT/2. E(u = K(k)) = E(k). formula 233. E(k = 1) = 1) (•u\ = K{k) -i Q G{k) = / Jo Next we set s dusn2ucn2dn2u = j[k'2(k2 15fc4 . Thus Jwell : = [13 1 f13 rf 1 / dq J^^E-V) 1 y/2 1 V 2 f[13 = — —.2)K(k) + 2(fc4 + k'2)E(k)) k -^i — .qz) (14.85). (24. the integrand of the integral across the well is effectively the inverse of this momentum.~ y ^ ) a< [ COS 5 + . V3 cose + ^ = V3 2 1 + 72 v/l + 3 7 4 C (cose) -2 = 1 + 3 7 4 = 4 d . g= 2 .32)).87) Inserting G(fc) together with the expressions for the prefactors into (14. 2 2 . 0 (14. sinV = q3 qi ~ = 1. We can evaluate this integral again with the use of Tables of Integrals. with K(k = 1) = oo.90) hi JlnynE-v) V(q-qi)(q2 Vz b Jq -q) -I" bJqi where P fe = 93-91 92-91 = . . Thus Iwen=l-gF(ip. D. A:') = # ( * ' ) • (14. 91 < q < q3 < 92- bJc.86) 15 tan.84) we obtain Carrier = 2a 2 sin6> 2 b( .S . 1+72 = and J o s 0 + ^ = (1 .= —^ = k a2[cos0+^] v ^ + tanfl V=". Next we evaluate the required integral across the well from 91 to 53 at energy E.2(fc2 ./ dq~ ^2 b JQl 1 \/(q-qi){q2-q)(q.) . p. Friedman [40].?)(?3 .k). (14.^ V3 / V V3 y a / c o s e J. 72. V?2 .fc'2 + fe'4)"1/4. as in (14.sm t %/3 £\.2)*w+2(fe4+k'2)E{k)] v ' G(k) For one complete round from one turning point back to it. Eq.304 CHAPTER 14. (14.^ + ^ ) (l + fc'2)2 . . E(u = 0) = 0.92) ''P. F.89) This expression will again be obtained later with the help of configurations called "bounces" (cf.91 . Whereas the integrand of the above barrier integral is effectively a momentum. V 93 .

(14.l.2. M. .93) where w is the harmonic oscillator frequency in the well. .14. (14. we obtain 15 .114. Thus one obtains from (14.96) Expanding the coefficients of the elliptic integrals in Eq. we obtain > . in fact through logarithmic contributions contained in the argument of the exponential for k ^ 1. Gradshteyn and I.113.3.97) 4 32 4 32 Here we insert the corresponding expansions of the complete elliptic integrals'^ (note the argument of K and E is fc): K(k) E(k) fc'2 = = < $ ) fc'2 1+ f l n\k'l f H + -1 4 5 3fc' 1T Hfc^J ~2_ 1^ \k'J 12 (14.5 Further Examples Hence (using K(0) = rr/2) 305 ab ab (14.80).99) **For the potential approximated around the origin as V ~ a2b2q2/2 the eigenvalues are E = fat)(n + 1/2) with it) = ab.95) Comparing this with the harmonic oscillator approximation E — En = ab{n + i ) . (14.! With these expansions one obtains ^barrier = 15 -ahb 2 + 8A . With algebra — which it is impossible to reproduce here in detail — one can derive expansions in ascending powers of fc' (which is small) of all relevant quantities. To obtain the latter we have to use the quantum mechanical expression approximated by E = hw(n + 1/2).3 and 8. we cannot expect the ratio exp(—2Jt>arrier)/2J'well oc w exp(—27barrier) evaluated at k = 1. (14. so that even in the case of the ground state the zero point energy will contribute to the prefactor.94) C °S3 2 (l-fc2 + fe4)3/2 - l+ g f c ( l + fc) + Comparing this equation with Eq. 32 (14. 905.** However.. to represent a physical decay rate.63b).85) (14.2 IE 4 -fc' ln 8 (" «V iU^fc' 4 .89) can be expanded to exhibit a simple pole at z = 0 allowing evaluation with Cauchy's residue theorem: 2 dz 2Ez2 a2b2 %2dz Ez2 2nib\ -o?E o?b2 2-KE ab tt I. (14. pp. Ryzhik [122]. and hence at E = 0. formulas 8. S. With q = 1/z the integral (14.88) in rising powers of fc' .4 2n + 1 fc' = 4 — ^ — . 906. 2a 5 b K(k) + 2 E(k). a°b n = 0. The same expression for E is obtained by applying the "method of poles at infinity" to the Bohr-Sommerfeld-Wilson condition (14. we obtain E -a6b2k'4(l + k'2).

It follows that (for one complete orbit back to the original turning point) .11)) dq 2TT y/2-§?(E-v) It would be interesting to derive the same quantity with the perturbation method and to compare the results.e x p [ ..j . 15 a . (20.— (14.96) for the imaginary part of the energy as in the Breit..> tf = = 2/wfiii = ±tv8a°b—-—P. _ T T • (14.7 .103) 27 w e l l 27rVn+y ' fn With Stirling's formula in the form of what we later (with Eq. . (0) i hw En = E\> .„. i.e. V (14.306 CHAPTER 14. oa ba Thus with the W K B method we obtain exp[-2/barrier] — barnerj = 8 s.2 7 b a r r i e r ] Z Z7T where (cf. n ~ V27T .( n + l ) e _ JL a * 6 and we obtain for the ground state (ro = 0) . this has not yet been done. +3 the result becomes exP[-2Jbarrier] = ± i _&g_ (25a5br+J e . .105) As argued in Chapters 24 and 26 one expects this W K B result to agree with the one loop path integral result using bounces.178)) call the Furry factor set equal to one. the result agrees with the ground state path integral result (24. (14. 8 Bfc .ba / 25a5b\n+2 ±l_l e-T5 a f >. i.. _ exp[-2/barrier] >.102) . We observe that with \j2je as 1.100) 'barrier = ~0°b In [ ^ — j ..J + 0(VoJb). 7 ~ —. /25a5b\™+5 e exp[-2/barrier] ^ ( r ) Correspondingly we obtain for the full period 2/ w e ii: 2/well = ? K ( f c ' ) ( l . 2n + 1 — / 26a5b \ .e.fc'2 + fc'4)1/4 * ± t ^ . The WKB Method For k' —• 0 the first and the third terms dominate. also Eq./^~^l^ab -^aub . (18. so that we obtain 4 .73).101) (14.Wigner formula (10.

1 Introductory Remarks The particular linear potential we considered in Chapter 13.* In the present chapter we consider various aspects of this potential and extend this consideration to ' T h e s e investigations became very popular after the discovery of the heavy charmonium bound state ^ and were naturally extended to sufficient complexity to permit comparison with experimental measurements. that it may not even be possible to extract individual quarks experimentally with any finite amount of energy. D. in fact. Rosner [230]. K. The study of this potential. T. There are numerous. L. C. Kinoshita. after the realization that quarks as their constituents might not exist as free particles and. L. at least indirect. Yan [82]. led to a spectrum which contains only scattering states. [232]. Rosner [269]. Eichten. Lane and T. 307 . describing free fall under gravity.-M. This potential became widely popular in the spectroscopy of elementary particles. along with inclusion of angular momentum and spin effects and their interactions. now known as quantum chromodynamics. led to a classification of quark bound states which is in surprisingly good agreement with a large amount of experimental data particularly in the case of heavy quarks. [233] and H. indications from the nonabelian generalization of quantized Maxwell theory. i. See particularly E. Thacker. Gottfried. the classification of the various states of nucleons and mesons and other particles. K. In the present chapter we consider briefly the three-dimensional potential V(r) oc |r| = r. Quigg and J. This would mean that the force binding the quarks together would not decrease with increasing separation as in the case of e.e. C. which permits only bound states.g. [231]. B.Chapter 15 Power Potentials 15. the Coulomb potential. that this is indeed the case. Quigg and J.

This force maintains this value irrespective of how far apart the particles are separated. (15. h2 2n V 2 * ( r ) + [V(r) . (15.1) i. and u'(0) -> [u(r)/r]0.308 CHAPTER 15. v > 1.V 7 = -const.3) with the boundary conditions''' u(0) = 0.r acting between two particles is constant and directed towards the origin (of the relative coordinate). where \x is the reduced mass of the two particles of masses mi.m2. ~ (I + l)rl (15. mi + m2 and r is the relative coordinate. In order to have a clear starting point.e. </>)R(r). R(r) = ^ .4>)-ru{r) = Ylm(9.4) Instead of considering the linear potential. we consider immediately the more general power potential V(r) = \r\ 'We have u(r) = rR(r).e. and obtain 2/x 1(1 + l)h2 u"{r) + E-V(r) u{r) = 0 2 2/ir (15. f dr{u(r)}'2 1. m\m<i M= : . We leave consideration of the logarithmic potential to some remarks and Example 15.6) = (I + l)u(r)/r = R ~ rl. Power Potentials general power potentials. 15. A > 0.£ ] * ( r ) = 0. These particles therefore cannot be separated by any finite amount of energy. i.2 The force The Power Potential F = . For a central potential V(r) we write (15. (15. and so u'(r) .u ~ r i + 1 (/ + l)R(r).5) u'(0) u[r) r=0 = R(0).1. and the normalization [ dr\y(r)\2 = 1.2) tt(r) = Ylm{9. we return to the Schrodinger equation in three dimensions.

63b) for the one-dimensional Schrodinger equation. which has been reduced to an effective one-dimensional problem in the polar coordinate r. Then k(x) = k(-x). and the turning points are at a — — b := — xc.4) in the three-dimensional case. In order to to obtain the .10) Here rc is the turning point and n — 1. 3 .1.2. N = 0.9) Three-dimensional case: We transcribe the above considerations of the onedimensional case into that of the three-dimensional case by restricting ourselves in the latter case to S waves (no centrifugal potential!). We therefore proceed as follows.V(r)) = (2n-l) +1 N.9) into the three-dimensional case in the following form: / Jo C dry/2n(E . (15. (15.15.8b) This condition implies that we have only one pair of turning points. One-dimensional case: We consider first briefly a particle of mass TUQ in a symmetric one-dimensional potential with the symmetry V(x) = V(-x) without loss of generality.63b): 2 and V(0) = 0 (15.2. We also assume that V'(x) > 0. odd integer ^=(n-ll)vh."-MA. (15. so that with Eq. . We now want to find a quantization condition for the three-dimensional problem. (14.8a) ^ JO = (2Ar + l ) £ ..63a).. (15. is to be interpreted as the principal quantum number in three dimensions.7) k(x) = h/y/2m0(E-V(x)).2 The Power Potential 309 In Chapter 14 we obtained the Bohr-Sommerfeld-Wilson quantization condition (14. (15. This means that we transcribe Eq. (15.8a) we can write the quantization condition (14.. and there identify the S-wave states with those states of the one-dimensional case whose wave functions vanish at the origin — these are the nonsymmetric ones with N odd — as required by Eq. x > 0. . d5. . or f l H " ^ ) ! .

.12) i/z Jo We set dr 1 l A v ~ E \ (Et\l/v so that (15.14) Prom Eqs.y) defined by (x-l)\(y-l)\ y -^ (x + y . dr = . Power Potentials eigenvalues E —• En for the radial potential (15. _ —vr" *dr.\rvc = 0 . (15-16) (15. E A fv. (15. 1W or Xv \E I It follows that (I) / ^""^(l-*)1/2.13) dt . (15. (15.6) we have to evaluate the > integral / : = [ ° dr^2n{E-\r»)= Here the turning point rc is given by E .17) The integral on the right is the integral representation of the beta function B(x.13) we obtain _ X_ „ _ so that A£_ (15.'(1-*)1/2= J1F-\l-t)y-1dt.15) I ' = ^ 1 (( 1) B{x. Now. c (n-j\irh.y) T(x)T(y) _ T(x + y) ("-!)/" /•! / d"(1"")/. s.310 CHAPTER 15.12) and (15.11) rc = (15.

The case v = 4 is that of the pure anharmonic oscillator also discussed by M.1)!.55). t h a t in the limit v —• oo the potential approaches the shape of an infinitely high square well.19) or En = _ 1)^(3 + 1)^/^2^+2) r(|)ir(i)^7^ • v 0 1 Fig.1. ^ '"Compare with Eq. i r ( i ) = r ( l + i ) = ( i ) ! . 15.* In this limit the eigenvalues become:^ E„ (n-h^ni) Lr(f)r(i)^7^ rv"ir •n2 2/i 2^2 (15. One can convince oneself now. T(z + 1) = z\. (15. for instance simply graphically as indicated in Fig.20) These are precisely the eigenvalues which one obtains from the vanishing of the (periodic) eigenfunction at the wall of the square well (of course n — 1/4 has t o b e replaced by n since the W K B approximation is only accidentally correct for small values of n ) . 15.1 Approach to square well with v —> oo. $T(z) = {z. . and n — — ]7r/i. Weinstein [281].2 The Power Potential 311 so t h a t by comparison y = 3/2 and x = 1 + (1 — u)/i/.15.18) \v \E or 3 E2- r(§)r(i)V2M (n ' (15. (12.

oj = ^/2X/JX.> r ( 2 ) A V 2 in \)*\W \it^T& (15. so that the appropriate Schrodinger equation becomes d2(j) + (Edx2 x)<t>(x) = 0 . (15. we obtain En = (n . discussion at the beginning of this section).312 CHAPTER 15. In the one-dimensional consideration these are precisely the odd wave functions as illustrated by an example in Fig. the harmonic oscillator. x > 0. Physically it does not make sense for the probability amplitude to have a discontinuity there.24) is discontinuous at x = 0 (this means the derivative there jumps from positive to negative).2. the case of the linear potential.1 + \)hx> = {An • l)£fiw. It is therefore necessary to demand its continuity there in the sense of equality of the first derivatives from either direction (apart from the equality of the values of the functions there from either direction).22) 0 which selects from the usual and with the boundary condition 0(0) eigenfunctions the odd ones. we obtain E„. In the case v = 1. (6. Power Potentials In the case of v = 2. = (n->r(§)A 2/3 3TT \h n 2/3 L r(§)v^7^ J (15.2) implies A s fj. For the following we set in Eq. > and with Eq.61) h2 = I.oj2/2. eigenvalues (JV + h)tkj — (2n . The potential V(x) = X\x\ (15. (13.25) "Comparison with Eq. since these are the ones we are interested in (cf. 15. But for our present purposes this applies only in as far as the solutions (j)(x) which are exponentially decreasing at infinity vanish at x = 0. (6.g — —2.mo = \.41) for the ./-/L This result agrees with that for the one-dimensional harmonic oscillator r2 in the form" cf>"(r) + ^(E-\r2)cf>(r) =0 (15.23) The eigenvalues for the linear potential can also be obtained from the zeros of the Airy function.21) (4n-l).

i. (15. this wave function has the required exponentially decreasing behaviour at infinity.e. Eq.28) In particular at x — 0.2 The Power Potential 313 V(x) V(x)=|x| turning points exponential fall-ofl Fig.15.57a) one solution of this equation is the Airy function <l>(z) on Ai(z) = Ai(E . we must have as a result of the boundary condition <p(x) = 0: 4>(x)\x=0 oc Ai(E .e. (15.60) applies.e. 15. and for s —> oo the trigonometric behaviour of Eq. (13.x)\x=0 = 0.27) i.56) and (14. dz2 According to Eqs.x). \(s?» (15.26) For z = s := E — x —> —oo.e. (13.29) .e. W i t h z :— E — x this is d24>{z) + z<f>{z) = 0. In the domain —a < x < + a . Ai(s) 1 2v^(-s)V4 exp x —> +oo.59) applies. E > V or s > 0.2 Behaviour of an odd wave function at the origin. i. (14. Ai(s) "v^ G ' cos s 3/2 _ t (15. i. i. s = E.

(15.32025 4.31) (an odd function has an odd number of zeros!). Co. Power Potentials Table 15. but for large > values of E Eq..78671 7.En from Ai(£„) = 0 2.^ = !(2n-l). (15. Rosner. i. of course..94249 9.94413 9. (2/3)E3/2 or 3 / 1 2/3 E — En — . copyright of North-Holland Publ. Quantum Mechanics with Applications to Quarkonium.02265 10.3.33811 4.51716 6. = im — (7r/4). . so that n — 1/4 ~ n.. i.30) ! ^ / 2 . It is possible. [231]. Table 2. *This Table is reprinted from C.e.1 demonstrates the quality of the WKB approximation by comparison with the exact values. It is interesting to note that in the dominant approximation both methods agree.28) is really only valid for s large and s — oo.82814 i.93528 12.1: S-Wave Energy Eigenvalues for V(r) — r (with h = 2/x = 1) from f 3 7 r ^n 2 ( i>j2/3 .e. (15. The expression (15. Table 15.2. the eigenvalues En are determined by the zeros of the Airy function. p. 201.08795 5.52056 6.00767 11.04017 11.02137 10. n = l. with permission from Elsevier.29) implies that cos ( | ^ .e. to obtain the zeros of the Airy function numerically..08181 5.7 T Tl * 2 V 4 Actually this expression is only valid for E and hence n large. Quigg and J. L.78445 7.82878 1 2 3 4 5 6 7 8 9 10 2.314 CHAPTER 15.03914 11.93602 12.= ) = «.00852 11.

e. . (14. e.g. which are inversely proportional to the lifetimes. had to be supplemented by inclusion of relativistic corrections as well as other contributions arising for instance from spin and angular momentum interactions. P. F.** r ( # ^ e e ) o c |*(0)| 2 . have only a finite lifetime and decay into other particles such as electron-positron pairs.34a) **The most frequently quoted reference for this result is R. *Note that this makes N a W K B normalization constant. We indicate briefly here — without entering into further details — how these quantities can be calculated. In general these quark-antiquark pairs. We shall encounter WKB normalization constants at numerous points in later chapters. ee. D. Jackson [140].e. r <53) 1 3 - dr cos 2 (---)- (15. van Royen and V. The resulting masses agree in most cases very well with those extracted from experimental observations. Weisskopf [239].50)) that in the domain V < E the leading WKB approximation of the wave function u{r) is given by the periodic function *>-"^-(JC'£)-I)' ^vm=rr (1532) where iV is the normalization constant. in Chapters 24 and 26. We saw previously (see for instance Eq. the charmanticharm meson ^ .• •) by a mean value. of course.* We can determine the constant N in the leading approximation by demanding that = 2 / Jo i. In order to be comparable with experimental data these investigations. The decay widths T. See also J.e. i.g. i.3 The Three-Dimensional Wave Function The linear potential has in particular been used in the investigation of the spectrum of heavy quark-antiquark pairs. dr[u{r)f " f** «" (i £>-i)4 Here we replace the oscillatory part cos (.3 The Three-Dimensional Wave Function 315 15. can be shown to be proportional to the modulus-squared of the particle wave function at the origin. cos2(---)^— / 1 fr° 2 > w .15.e.

rcu w X{r)dr = -Kh . dE a—— / dn J0 so t h a t with Eq. A = (15. (15.. & (15..1 )n .l N n .35) N2 .35) u T (•T=2TT/OJ dt cos 2 cot 2' (15.38) N : sin V ^ Jr dr' 7T (15. (15.316 In accordance with t h e relation CHAPTER 15.36) \i dEn irh2 dn According to Eqs.39) in / . (15.34b) VME-vy Variation or differentiation of Eq.10) with respect to n implies (which is permissible for small separations of neighbouring levels) 2/i ldEn rrc dr ^/2ii{En V) 2 dn J0 = irk.4) we have for I = m = 0: |^(O)| 2 = |n'(O)| 2 |y O o(^0)| 2 = ^ K ( O ) | 2 .\ \ * n = l. (15. Power Potentials this averaging implies a numerical factor like 1/2.32) we obtain to leading order u'{r) and therefore «'(0) = N N (1JU0) N (15. so t h a t approximately -l N2 / Jo k(r)dr .37) (15.Jo dr' n M?) ~ 4 in sin sin JTCl-drW2v{E-V)-j l \ 7T N 7W)sin = ( .2. i..40) VWY . From Eq. (15.2) and (15.e.

2.23) for the energy levels of the linear potential. (15. the expression (15. K. (IM2) l*(o)r = M dEn dn irh 2 ~^WEn ~*T (15 43) ' Inserting here. J.* Using the result (15. for instance.44) (15. W.g. J. Kaushal and H. . 3 .l ) n . E. The case of arbitrary positive power potentials as above has been considered by R. An enormous literature exists on the subject in view of its relevance to the spectroscopy of mesons and baryons made up of quark constituents and the necessity of checks with results derived from experiments. Miiller-Kirsten [28]. (b) for the logarithmic potential^ l*(0)| 2 ex ^ v (15. W. for various potentials: (a) For a confinement potential of power v. § S. Miiller-Kirsten [29]. G.15.41) I*(0)|2=_L^)^.3 The Three-Dimensional Wave Function Since we are considering potentials with V(0) = 0.38) implies 317 (15.45) 'See the references of Quigg and Rosner cited at the beginning of this chapter. (15. we can investigate the dependence of the decay rates on n (note that these would be decays into particles different from those bound by the linear potential — a consideration we cannot enter into more detail here). Hite and H. .37) we obtain: 1 (2M^)1/2 47r ft.43) or the results of corresponding calculations one finds the following dependence of (^(O)!2 on the quantum numbers n = 1. we have ^'(0) = ( . Bose and H. . Hence Eq. Thus only theoretical investigations performed immediately after the discovery of the particles \I/ and T are basically of an analytical nature* and therefore have not been performed largely with numerical methods and the fitting of as few parameters as possible. J. and hence with Eq.1 ^ ( 2 ^ „ ) 1 / 4 . K. MiillerKirsten [147]. Bose. . W. 'For one such investigation which includes the Coulomb potential in addition to a confining potential see e. Itt^pocn2*"-1^"-^. S. S.

.I l n f ^ p . i.L 2 + U{z)]<f>. q = 2n + l.^ +•••.c = —a//3. ip = exp[(z — c)/2].j .46) and the classical Kepler period of Eq. D. (15. {S = ^ > 0.5. = (I + 1/2) 2 .. = 1(1 + 1).133). Lifshitz [157]. and there Eq. W. Miiller-Kirsten [29]. Eq = i q . S. U(z) = | dz -zf3e2a/?e2*. . Example 15. in agreement with Eq.e.2. M. (11. Solution: Details can be found in the literature.. 7 With the substitutions r = exp(z — c). Power Potentials |*(0)| 2 oc . ." 1 11 L .^ ( 3 ^ + l)-55p^«(3^-l) + .1. as well as Expanding U(z) about its extremum at ZQ = —1/2 and using the perturbation method of Dingle and Muller derive the expansions N)2 = ^-^ 3 .g ^£+(<*-Pl»r-iy = 0. E' = E + gln(r0).— oo < z < oo. rewrite the equation as ^ z + [ . J. (14. .L2 h4 = 4/3exp[(2a — /3)/f3]. n = 0.75). We observed there in the case of the Coulomb potential that the period is proportional to n 3 .1: Regge trajectories of the logarithmic potential Consider the radial Schrodinger equation for the potential V(r) = g\n(r/ro).318 (c) and for the Coulomb potential^ CHAPTER 15. K. *=^f.. Landau and E. Bose and H.46) We can now link the value of the wave function at the origin to the oscillation period T using the arguments of Example 14. (15.

This effect sounds unphysical. Historically this potential arose with the realization 319 p-Vr . it is. This implies.Chapter 16 Screened Coulomb Potentials 16. in microscopic and hence quantum physics with the possibility of real and virtual creation of particles and hence a vacuum state. that no matter how far the particle is scattered away from the source of the Coulomb potential. r in which /i has the dimension of an inverse length or equivalently that of a mass in natural units.1 Introductory Remarks We observed previously that the infinite range of the Coulomb potential — the concept of range being defined more precisely below — leads to a scattering phase with a logarithm-r contribution. The exponential insures a rapid fall-off of the potential at large distances and for this reason the parameter ro can be looked at as a measure of the range of the potential. a charge as source of a Coulomb force leads to an effective polarization of the vacuum like that of a dielectric. A very similar potential is the Yukawa potential V{r) = -g2 — . In reality. The result is a screening of the Coulomb potential which thus attributes it a finite range ro.Phenomenologically the screened attractive Coulomb potential may be written V(r) = -g2p-r/ro . it will always notice the latter's presence. and in fact. so that like charges are repelled and unlike charges are attracted by each other. r where r is the distance from the source charge and the charges and other constants are collected in the coupling g2. It is clear that for ro — oo the > potential becomes of Coulomb type.

1) We encountered Green's functions earlier. What is meant is that the four-dimensional Minkowskian Fourier transform of the propagator is given by the relation dk (2TT) J 4 e x ^r—2 = 7Z^u o)^n k + fi2 4TT v y |x 2 ikx ^ e-^W ( 16 . one frequently resorts in calculations to the expansion of the potential in rising powers of r.1) and is written in spacetime-dimensional Minkowskian notation l/{jpvpu + /i 2 ). A Green's function is effectively the inverse of a quantity called propagator which is intimately related to the expression in Eq. (16. in fact the parameter [i represents the mass of such a spinless meson. however. The realization that mesons and baryons are made up of quarks does not really change that picture at lower energies. In the literature reference is sometimes made to the so-called static limit of a relativistic propagator. Heisenberg [133]. Regge trajectories — which we encounter *The S-matrix theory of strong interactions was actually initiated by W. the mathematical expression with an exponential is not so easy to handle analytically.x j 36 x 4 (2TT) k + p? 4 2 (2TT) J d x- e-^xl 4TT|X| ' We observe that the Fourier transform of the propagator is effectively the Yukawa potential. and that. and in view of their relation to the exchange of virtual elementary particles have therefore been objects of intense study in elementary particle theory. Since. Thus in the following we consider a generalized Yukawa potential which can be expanded as a power series in r and is written oo V{r)= }Ml+1(-r)\ (16. who later — as is wellknown — deviated from this idea and invested his efforts into the study of nonlinear spinor field theory. Screened Coulomb Potentials that the strong nuclear force is mediated by the exchange of mesons.* The relativistic equation of motion of such a meson when free is the Klein-Gordon equation which results from the quantization of the classical relativistic energy momentum relation of a particle of mass /x.2 ) or (p = hk) 1 /" . .320 CHAPTER 16.3) where for the real potentials we consider here.ii k . from the relation -Pi + P 2 + M2c2 = 0.e. i. Yukawa potentials and superpositions of such potentials play an important role in nuclear physics. (16. all coefficients Mj are real and independent of the energy E = k2.

e. T. Froissart [223].mo being the reduced mass of the system.Q. 2 . l+n+l = ^P-.{l. Omnes and M. f H. bound state eigenenergies and the 5-matrix. |if|->oo. A.4) where E = k2 and h = c = 1 = 2m.§ Our intention here is to consider these potentials as a generalization of the Coulomb potential and hence to proceed along similar lines in the derivation of Regge trajectories.e.k. only for the cases of n = 0. ''The approximate behaviour of Regge trajectories for the Yukawa potential has also been calculated by H. i. Lovelace and D. They are usually written I = an(E). "These were first considered by C. Wu [47]. i. £+*-*P-VV t/. i.r)=0.16. Regge trajectories were realized to play an important role in the high energy behaviour of hadronic scattering amplitudes.5) where K — ik and A n is an expansion in descending powers of K. Mandelstam [185]. As discussed in detail by Bethe and Kinoshita^ one can start by arguing that a countably infinite number of Regge poles may be defined in the region of large negative energies E = k2 of the radial Schrodinger equation by requiring I + n + 1 for n = 0. (16.e.e. J. S. (16. Masson [180]. where n is an integer and we referred to these already in Chapter 11 in the simple case of the Coulomb potential. . (16. .3) in the radial Schrodinger equation for the partial wave ip(l. Naturally it is easiest to familiarize oneself with these by studying solvable potential models. $ In the following we consider screened Coulomb or Yukawa potentials of the type of Eq.k. Squires [258]. S S. Thus in the present case it turns out that it is easiest to calculate first the expansion for the expression l + n+1. to be of the order of 1/k.3) have been considered by various authors.r).1. however.^ Regge trajectories arise as poles of the Smatrix in the plane of complex angular momentum. Basically this argument amounts to an argument similar to that used in the case of the Coulomb potential where the integer n arose from the requirement that the wave function be normalizable. . Cheng and T. Potentials expandable as in Eq. and hence that the confluent hypergeometric series there obtained has to break off after a finite number of terms in order not to destroy this behaviour. for the Regge trajectories or Regge or /-plane poles of the 5-matrixll / = ln(K) 'Standard references are the monographs of R. physical) values of angular momentum as functions of energy E. Frautschi [97] and E. (16.1 in the above. See also the other references below. C. . Bethe and T. Kinoshita [21].1 Introductory Remarks 321 in this context — are functions which interpolate integral (i.

*See in particular A. as may be seen from Eqs. 16. for all n. Under these conditions the S'-matrix is meromorphic (i. J. Regge [31] and E. Proceeding now as in the case of the Coulomb potential we change the variable of Eq. we naturally assume conditions on the potential V(r) which are such that the ^-matrix is meromorphic in the entire plane of complex angular mommentum. J. 'In the case of the Coulomb potential (cf. H. M. Bottino. W.6) 2K{M°~ An(K))x+ 2K^(^K) MiX ' (16J) **H. Section 11. (16.z) = e-z2/2zl+1X(l.322 CHAPTER 16. Muller [201] and [202]. A. (16. .** The energy is later obtained by reversion of the resulting series. W. Screened Coulomb Potentials as a function of the energy. starting with the power r _ 1 of the Coulomb potential. Schilcher [203].15) and (16. in the present case at fc2 = 0 or k2 — Mi = 0. Squires [258]. Muller [204]. o rV(r) I dpp\V{peie)\ regular at r = 0.2 Regge Trajectories Since our treatment here aims at obtaining an S'-matrix as a generalization of that of the Coulomb potential. one can assume an expansion of the potential V(r) in ascending powers of r. Miiller and K.4) to z = —IKv and set TP(l. W.k.)/j. J. In the following we follow mainly the last two of these references.9) the cut starts at E = k2 = 0. J.e.ndp.k. < const.z) Then x is a solution of the equation VaX= (16.19).t Considering such superpositions of Yukawa potentials with /•oo / a(/j. The conditions for this have been investigated in the literature* and may be summarized as follows: /•oo V(r) = / d/xa(//)e-^7r. has only simple poles) in the plane of complex angular momentum and in the complex &-plane (E = k2) cut along the imaginary axis. Longoni and T. ttThus it will be seen that with perturbation expansions the problem of the screened Coulomb potential can be solved practically as completely as the Coulomb problem. tf H . < oo for all |0| < vr/2.

0) = 1.z) is known to satisfy a recurrence relation which we write here for convenience in the form z$(a) = {a.L ^d {b-z)--a l+ l + ^ ^ l 2K = - n &ndb = 2l + 2 = -2n-^4^-- K (16-8) The right hand side of Eq. Eq.z) = Ha).j) may be computed from a recurrence relation which follows from the coefficients (16. J.j) (16. so that to leading order we have VaX{0) = 0. (16.awhere (a.5)) a = + 323 . a) —b — 2a.j) for \j\ > m are zero.* Recurrence relations for coefficients of perturbation expansions for Yukawa. as in the case of the Coulomb problem.1). which means that the hypergeometric series breaks off after a finite number of terms. j)Sm-i(a. The function <&(a.b. W.j -l) + (a + j.a — l) — a — l. (16. We also observe that the ansatz (16. and all Sm(a.a + + l). Miiller-Kirsten [249]. Sharma and H.b. b\ z) is seen to be a confluent hypergeometric function which for reasons of convenience we abreviate in the following as 3>(a). anharmonic and cosine potentials have been derived in L.a)${a) + {a. (16.5) is equivalent to a = —n. all other So(a.10): Sm(a.j +(a + j + l.16. a + 1) = a — b+ 1.11b) ^ The associated boundary conditions are: So(a.9) we obtain m l)$(a . (a.10) zm$(a)= ^ j=-m Sm(a.j) = (a + j -l.j)$(a + j). (a. By a repeated application of the recurrence relation (16.2 Regge Trajectories where d2 Va = z-^ and (cf.7) is seen to be of order 1/K.11a) The coefficients Sm(a. (16. . where $(o.a + j)Sm-i(a.a+ l)$(a + 1) + (a.a + j)Sm-i(a. {0) X = Ha. K.9) (16.i 0) = 0.

<&(a + n) on the right hand side of Eq.[a>a + J]i+i*(a + 3). This equation is seen to be 0 = 7n7L a ' a Jl + P a + n $ ( a + n) = 0. (16. 1 . a .[ a + l.a\4. i. of course. [a.a]l^a) + ^2(2K)i+1 Y. for the coefficients M^> of the expansion Details can be found in the references cited above.324 CHAPTER 16. i R »] = 2K[a.7).aj 2 -\ [a.l. . + (16.12a) where [a. Mn The coefficient of the sum of all the remaining terms in 3? (a) is then set equal to zero and determines to that order of approximation the quantity An(K).e.a + j]i+l = MiSi(a. Any term /j.j). Screened Coulomb Potentials Substituting the first approximation x^0-* = 3>(a) into the right hand side of Eq. #(a + ra) fjL$(a + n) V. [a. (16. the latter can be written -.' — . oo _ .n.a + l ] 2 [ .7) and hence in Ra may be cancelled out by adding to x a contribution /x<I>(a + n)/n except.13) one obtains the quantity An(K) and hence with Eq. [ a .13) + ••• • One can now construct coefficients with their recurrence relations for the individual terms of this expansion.o]i = M 0 . This follows from the fact that D a $(a) = 0.1] 2 . when n = 0.aj 2 (2K)A _ [a. We first cite the final result . (16. Va+n = Va .An{K). and hence Va$(a + n) = ra$(a + n). Evaluating the first few terms of the expansion (16. (16. (16. 0 < \j\ < i.12b) The usefulness of this notation can now be seen in the ease with which it permits the calculation of any number of higher-order perturbation terms. so that 1 1 2K— ' (2W[a'a]2+(2^F[a'a]3 1 r i .5) the Regge trajectories I = ln(K).

Obviously the expansion — which.1) +6M 2 Min(n + 1) + 2M2M02 + SM^Mo] + g^s [3M 4 M 0 (n 2 + n . Thus the expected appearance is that shown in Fig. (16.l)n(n + l)(n + 2) + 2M 3 M 0 (3n 2 + 3n . Tate [6].1) +6M 2 Mm(n + 1) + 2M2M02 + SM^Mo] . Inserting this expansion into Eq.1) + 3M3M02 + M22n(n + 1) (16. is an asymptotic expansion for large values of the energy — is not very useful in the very interesting domain around energy zero.e. .( 2 1 ^ 6 1 ) [ 3 M 4 M 0 ( n 2 + n . Analytical Observe there the quadratic form of the centrifugal potential! "See in particular A. it is clear that one expects the trajectories to be finitely closed curves with asymptotes given by those of the Coulomb potential. Ahmadzadeh.1 by evaluating the first two terms.5).2. we obtain the expansion for the Regge poles. 16. The result is AnW = M0-'[n(n + l)M2 + MlM0] <2» + ^ ^ 1 + — ^ [ 3 M 4 ( n .15) The same expansion may be derived by the WKB method from the BohrSommerfeld-Wilson integral for three space dimensions as explained in Example 16.^ p [ 3 M 4 ( n .^ The plots confirm the expected behaviour for strongly attractive potentials but exhibit also a superficially unexpected departure into the lower half of the complex i-plane in the case of the first few trajectories (counting in terms of the quantum number n) for weak coupling.14) +4M 2 MiM 0 ] + 0 ( K ^ 7 ) . including an exploration of the domain of small energies E.l)n(n + l)(n + 2) + 2M 3 M 0 (3n z + 3n .§ This is an important observation which indicates the equivalence of the methods.1. G. However.2 Regge Trajectories 325 and then demonstrate the calculation in Example 16. (16. With numerical methods one can achieve more. Burke and C. of course. . P. Such plots of numerically computed Regge trajectories for specific values of the overall coupling constant and energies varying from minus infinity to plus infinity have been given by various authors. i.1) + 3M3M02 + Mln{n + 1) +4M 2 MiM 0 ] + 0(K~8).16.

12b) we obtain [a. (16. ±1) = 0. . p. where the imaginary part of I is very small. Screened Coulomb Potentials expressions of the behaviour of a Regge trajectory in the immediate neighbourhood of E = 0 are practically unknown. For a resonance with a long lifetime. 16.O) = Other terms vanish since So (a.0).1: Evaluation of perturbation terms Use the above formulae to verify the first two terms in the expansion of A n for the Yukawa Regge trajectories.^ . Example 16.—" + In = — . In fact. a] 3 = M 2 S 2 (a. From Eq. satisfies the relation ajAO ~ h. 0). C. through which the particle orbits during the course of the resonance.a)So(a.11b) we obtain Si(a. (a. this is a particularly interesting domain since at the position soon after this point at integral I (as at I — 2 in Fig.2 a = -In See S.a) = b . a] 2 = M i Si (a. (16. Solution: We evaluate the first three terms of expansion (16." Re I 1 0 1 2 Fig. 0) and Prom Eq. Hence Si (o. Similarly the conjugate variable to angular momentum is angle. one can expect a resonance with the lifetime determined by this imaginary part.1). and the lifetime At of the resonance satisfies the relation TAt ~ h. For a bound state a j = 0 and the orbit becomes permanent. ai is small and A6 is large. 16.0) = (a.13). . 114. and the angle A#. Frautschi [97]. [a. just as a decay width T represents the width of the resonance in energy.326 CHAPTER 16. However. The conjugate variable to energy is time. so the imaginary part ai of I — an represents its width in angular momentum.1 Typical Regge trajectory for a strongly attractive Yukawa potential.

0) (a .6)Si(a. (a. -(n+l)U+^p-J . .65) and observing that in z there is one pole at the origin and one in approaching infinity in view of the expansions VA + 2Bz + Cz2 _ VA y2 -.1) + (a .65) -2m dz V'A + 2Bz + Cz2 • Z— 0.A „ ) H -Mi 2An 2K if -n + (2i^): r M 2 2K Hence 1 .b)(a . Solution: Ignoring higher order terms in r.13) we obtain 0 (Mo .00 B + Cz 2ni VA + 2Bz + Cz2 B 2niI —= + vC with ambiguous signs of square roots I. Sec. using the Cauchy formula (6.(ra + 1) [n + (2K)3 A n+1+• n K K (M0 .1. . One sets z = 1/r so that. a)Si (a.2 a ) . 1).1 ) + (a. 0) + a S i ( a . (a.4) with mo = 1/2 and around the classical orbit the integral in the following relation I h = <b ^J pdr: dr •K2 Mo {l + \)2h2 1/2 ^classical orbit The integral is most easily evaluated by the method of "poles at infinity". a)Si (a.-1) Si(a. 0) + (a + 1. 1) Hence 52(a. (16.2 Regge Trajectories 327 Analogously we evaluate S2(a.0) Si(a.^ 2 M " + ! ) M 2 + M i Mo] + • E x a m p l e 1 6 .n ( n + l Inserting these expressions into expansion (16.a)5o(a.1 ) + (6 .6 + 1 ) .a + l)S0(a. we have to evaluate (cf. Thus (with terms which are 0): Si(a.a-l)S0(a.6 + l)a + A.0) = (a .2o)Si(a. .2 V~Az and z \ zz dr\ A 2B C dz V'A + 2Bz + Cz2 (6.11b).0)+ 0 + 0 = (a-1). a)Si (a. i ) again from Eq. We obtain the quantities S i ( a .16.0) + 0 + 0 = ( 6 .An) • [ M i M 0 + n(7i + l)M 2 ] 1 A n = M 0 .0) + 0 + 0 = ( a . 2 : E i g e n v a l u e a p p r o x i m a t i o n b y " p o l e s at infinity" Verify the dominant behaviour of the Regge trajectories of Yukawa potentials by contour integration of the Bohr-Sommerfeld-Wilson integral in which 1(1 + 1) is replaced by (I + 1/2) 2 . 14. 1) (a . A" An An A" = = = (a.

1) +61(1 + l)M 2 Mi + 3M2M02 + 3Mx2Mo] + 0(K~6).* 16. We know that corresponding to every Coulomb Regge trajectory we have a corresponding one in the Yukawa case.. (16. Thus we can write down the S'-matrix for the present case by exploiting the limiting case of the Coulomb potential. *J. The turning points in this case are at r = 0 and r = oo. I. Screened Coulomb Potentials Mo . i. (16.328 Thus here dr K' CHAPTER 16.l.14) for An(K) in order to re-express the latter in terms of I so that i+i+ A.(iO mp~ ~ ' ' ' '---+ l)M2 + M0Ml] (16.3 The 5-Matrix It is clear that if we now work through the usual procedure for the derivation of the S'-matrix we pick up a logarithmic phase as in the case of the Coulomb potential. ±2HK in agreement with our expressions above. evaluate — with 1(1 + 1) replaced by (I + | ) 2 and V(r) = —Mo/r + v(r) — the following equation dr K2 Mo (l+\? 1/2 .3: Calculation of Regge trajectories by the WKB method Use the WKB method to verify the first two terms in the expansion of A „ for the Yukawa Regge trajectories.15). Boukema [34] and [35]. Solution: For details of the solution we refer to papers of Boukema. we can use Eq. tSee Chapter 11 and V.2. . In the second paper the second order WKB approximation is used and shown to yield complete agreement with the terms given in Eq. n = 0.1)1(1 + 1)(Z + 2)M 4 + 2M3M0(3Z2 + 3/ . however. by expanding the right hand side in rising powers of v and evaluating the individual integrals. Here we do not perform this procedure. Singh [252].16) = n n=o 1 2 With this inversion we obtain = M0-^^[l(l + ^ [ 3 ( Z .t First. This shows that 1(1 + 1) has to appear in the BohrSommerfeld—Wilson integral as (/ + 1/2) 2 . t?{l + \f M0 ±2K 1/2 -2TT 2J 2V^2 (n + l + l)h = 2TT Mo h. Example 16.5) together with the expansion (16.e.

. One can use the explicit expression (16. and could then have carried out the perturbation procedure not in inverse powers of K but in inverse powers of y/K2 + M\. which are precisely the expressions yielding the Regge trajectories of above. the behaviour of the scattering phase in the domain of high energies.l)n(n + l)(n + 2) + 2M2M02 . i. Miiller [204]. § See H.19) +2M 3 M 0 (3n 2 + 3 n . Paralleling the case of the Coulomb potential in Chapter 11. J.18) of the S-matrix now to explore further aspects.l.17).g. .. We observe also that the S'-matrix is unitary as a consequence of the result (16. J. This has been done§ and one obtains .4 The Energy Expansion We observe that Ai(K) has the property MK) = M-K) 329 (16. n = 0.14). Miiller [211]. Now reversing the expansion (16.2.17) and is therefore real for real values of the potential coefficients Mj. we can now write down the S'-matrix in terms of the scattering phase 5i as the expression TV/ I 1 I ^l(J<l) S ( W = e -r(/ + i-^#>)e ' (16 18) ' We observe that the poles of the S'-matrix are given by l + l + ^p- = -n. the following *See e. W. H.19) we obtain the energy. W.e.4 The Energy Expansion It may have been noticed that in the above considerations we could have combined the constant Mi with the energy into a combination K2 + M\. such as.0[(KZ + Mx)'6} (16.. Expanding the square root V-fC2 + Mi for \Mi/K2\ < 1 one regains ln(K) with the expansion (16. for instance.16..* 16. M 0 2y/K2 + Mi n(n + l)M 2 4 ( # 2 + Mi) 3 /2 (2ra + 1)M 0 M 2 8(K 2 + Mi) 2 + 16(if2 + Mi) 5 / 2 3M 4 (n .l (two additional terms are given in the literature).

107. 'According to S. 282. . the transformation was introduced in the form given below by G.5 The Sommerfeld—Watson Transform The basic theoretical tool for the exploration of Regge poles is a representation of the scattering amplitude given by the so-called Sommerfeld-Watson transform.10) + 12} + 4M3M05 +2M 4 M 0 4 (6n 2 + 6n . Mendelsohn [135] and E. Miiiler-Kirsten and N. J.11) + 2M22M03(9n2 + 9n . Large coupling expansions derived in H. p. Screened Coulomb Potentials expansion.f 24(2n + l)(Z + n + l ) 5 M4M0(nz M06 -M$n(n ^ M9 + n . A. Iafrate and L. Warburton [279].< 3 M 4 M 0 ( n . Zauderer [286].l)n(n + l)(n + 2) . E.20) Extensive investigations of the energy eigenvalues for the Yukawa potential can be found in the literature.330 CHAPTER 16.1) -10M 3 M 2 M 0 2 n(n + l)(3n 2 + 3n + 2) + 20M23n3(n + l ) 3 -30M 4 M 2 M 0 (n .e. in which the leading term is the usual expression of the Balmer formula for the Coulomb potential: K2 = -Mi+ 1 ° l-4n(n + l ) ^ ( / + n+l)2 4(7 + n + l ) 2 Mio +4(2n + l ) ^ ( / + n + l ) 3 4(Z + n + 1)4 ( l) ^ — .l)n 2 (n + l) 2 (n + 2) 1 + • • • (16. Watson [280] in 1918 and later resurrected by A. Vahedi-Faridi [212] contain as special case the expansions of the first pair of authors. N.^ 16. C.l)n(n + l)(n + 2)(n + 3) +2M 5 M 0 3 {5n(n + l)(3n 2 + 3n . W.1) + Af3Mff + 1) ^ |lOM 6 M 0 2 (n . p. B.3 M 2 V ( n + l) 2 M(o I +2M 3 M 0 2 (3n 2 + 3n . Analogous expansions for specific energy-dependent Yukawa potentials have been investigated by A. J. Sommerfeld [256].1) + 2M2M. k) as coefficient of the outgoing spherical wave in the asymptotic behaviour of the wave function tp(r). Frautschi [97]. i. in the following expression with an "See in particular G.* We recall from Chapter 11 the definition of the scattering amplitude F(9.2)(n .

.k) — e 2i5[(k) ~" p—iirl (16.k) = 2zfc L " v "'' v . The scattering amplitude possesses the partial wave expansion F(0.2 The integration contour C. so that sin -KI = sin7r(ra + x) ~ (—l)n-KX = (—l)lir(l — n)..iJ 11 —[S(l.187).1.23) f(l.184) to (11. ~:' sin nl (16. \x\ <C l . Actually 5j l-rr/2 as in Eqs.k) = ^T(2l + !)/(*.. (11. For this purpose we consider the following integral taken along the contour C shown in Fig.21) The scattering amplitude determines the experimentally measurable cross section o given by da (16.k)- 0ikr (16. c = 1.24) Si(k) being the phase shift..25) Setting Note the minus sign in the argument of the Legendre function.26.22) = \F(9.k)~l] = ~ k" -PiSiW sin 5i(k) and S(l.TOO= 1/2): ip(r] r ~*°° Jkz elkz + F{0.2 in the complex Z-plane: *<«•*> = s / c c K <u(21 + 1) vf{i. Eq.fe)P . I = n + x..23) as the contribution of the residue of a pole in the plane of complex I of some suitably constructed contour integral. (cos 9).km-cose).5 The Sommerfeld-Watson Transform 331 ingoing plane wave in the direction of z (here with h = 1.''' The idea is now to consider each term of the expansion (16.187)) (16. dn Iml 1 I c ( \ x o x 1 A 2 A 3 x4 X 5 Rel Fig. 16. z=o in which (cf.k)\2. 16. n = 0. (11.2.

16. a + c —> b + d. The reaction therefore describes the following processes which are also described as (reaction) "channels" and in which an over line symbol stands for the appropriate antiparticle (like IT meson with positive charge and that with negative charge): s: t : u: c(p') a + b —> c + d.3.—) s = (p + q)2.fc)P„(cos0). Consider the reaction of a particle a{p) with four-momentum p^ colliding with a particle b(q) having four-momentum q^ and producing a particle c(p') and a particle d(q'). Such a direct reaction and its "crossed channel reactions" are shown schematically in Fig. 16. for instance. we have to digress a little and introduce a few simple ideas which played an important role in the development of particle physics.27) a(p) © b(q) Fig. Thus the direct reaction may. d(q') (16.—.26) P((+COS0) = 2 ( 2 n + l)/(n. In order to see the relevance of Regge trajectories in a reaction of particles.28) . 16.332 CHAPTER 16.k) Zi Jc TT{L .3 Reaction channels and their respective Mandelstam variables. be elastic scattering of a off b. as indicated in Fig. a + d — • c + b. we obtain m® = ± I dl^±^-f(l. in which case c = a and d = b.3. For the momenta indicated we set (with metric +. u={p-q')\ (16. t = (q-q')2. Screened Coulomb Potentials Then integrating with the help of Cauchy's residue theorem.n) oo {-l)1 Pt{-cosO) v ' (16.—. n=0 which is the usual partial wave expansion.

0s). A(s.32) t = 4(q? + ml).u are known as Mandelstam variables. the only kinematics we require in the following is given by the relations (e.9s)\2.The variables s. e.g. the dynamics is described by the exchange of quantum numbers.g. Goldberger..t). B.t. t = -2q£(i . A(s. Symbolically we then have the situation shown in Fig. One now makes two hypotheses. S. s = -2qf(l-cos0t)(16. Blankenbecler. In the Yukawa picture of a reaction the dynamics is described in terms of the exchange of mesons IT (called pions).t. Chew [48]. one then has A(s. M. if s describes the square of the total energy in the s channel. (16. For a Lorentz-invariant normalization of the initial and final states. Thus.et) (16. the variables t and u would describe momentum transfers in the crossed channels.t) = VtFt(t. .2 ^ ( 1 + cos6 s ). N.g. one can write the amplitude as depending only on two. Ft = £ ( 2 J + l)F.16. u. T See e.u) (if any of the external particles has nonzero spin. N. 16. Mandelstam [184] and R. the quantities carrying these quantum numbers are the Regge trajectories.29) and with self-explanatory meaning for the cross section of the reactions ~ = \Fs(s. (a) Mandelstam's hypothesis: All three processes (described by the s. there will be several such amplitudes which together describe all three processes).c o s 0 s ) . except for poles and cuts which characterize the reactions in the three channels.§ Since the three variables s. § See G. In a Regge theory on the other hand.4. t.t.u channels) are determined by one and the same relativistically invariant scattering amplitude A(s. u = . Treiman [25].u are not independent.30) with partial wave expansions (observe the non-invariant factor k has been removed) Fs = ^ ( 2 2 + l)F z (g s )PKcos 98).(<fe)^(cos 6t). Khuri and S. the momentum k there would correspond to qs) s = ~4(ql + ml).5 The Sommerfeld-Watson Transform 333 and for simplicity we assume here that all particles are spinless and have the same mass mo. etc. which is an analytic function of the variables s.t) = y^Fs(s. if we had been considering the s reaction originally. (16.t. F.^ (b) Chew's hypothesis: All (composite) particles lie on Regge trajectories.31) i l Taking all particles to have the same mass mo. L.

16. the partial wave expansion is not valid in the physical region of the (i. It is known from the Mandelstam representation that the amplitude possesses a branch point at cos 9 = 1 + TOQ/2(^.e. For s — oo : cos 9t = 1 + s/2q^ — oo. However. . 16.r 1+m 2 /2q 2 o ^t "" Re cost: Fig.5 The Lehmann ellipse.5 for Yukawa potentials V{r) u: lm cose dr a(/j. 16. But for integral values of I. Thus one is interested in establishing a representation of the amplitude in terms of i-channel Regge trajectories.334 Yukawa CHAPTER 16. So what can one do? 1 H.4 Yukawa versus Regge theory. But > > wave expansion X)(2Z + l)F. Lehmann [162].)e~ •fj. the Legendre polynomial Pj(cos 9) does not possess a cut. Screened Coulomb Potentials Regge oc(t) Fig.((fc)/Kcos0t) s-channel i-channel s-channel variables the partial converges only within the so-called Lehmann ellipse^ which is shown in Fig. in the domain of s-channel physical values of the kinematical of the i-channel).

contour C / / D ^ ^ .26) but for a different choice of the contour.5 The Sommerfeld-Watson Transform 335 T h e answer is.1 / 2 . Then / JDD' ••• + j JBB' • • • = 2TTI V ^ residues f5n.6. to use the Sommerfeld-Watson transform.t). 16. „ i.6 The integration contour C". B Iml 1 \ i All \ r\ 0 / closed .16.^ B 1 A Fig. all poles of Ql > 0. Moreover. i.k) »E n=0 [2an(fc) + l]/3n(fc) p sin 7ran(k) an(k){- cos 6) 2i y _ i _ i o o = F(s. 16. Thus consider now the same integral but taken along the closed contour C shown in Fig.e. sin nl [16. N F(6. and there is only a finite number N + 1 in the domain of 9W = . the contour representation (16. Again we have / Jc> • • • = 1-ni y^ residues j3n „ For Yukawa tions A and f(l.e.33) . k) have to the right potentials one can show t h a t the integral along the curved porA' of the circle at infinity tends to zero.

Limic [177] and E. we have P-\/2+IR{Z) ~ 0(l/y/z) — 0 for s — oo (i. . we have (16. Miiller-Kirsten [29]. this behaviour has been confirmed in high energy hadronic reactions. for plots and discussion see R. J. i. Omnes and M. W. at high s-channel energies.32)) and finite. (IM4) This is the asymptotic Regge expansion of the invariant amplitude for s —>• oo. also been investigated in the case of other potentialsJI The significance of Regge trajectories is evident from the fact that they determine the high energy behaviour of scattering amplitudes.e. Regge trajectories have. ^M)^E i 2 a f: a „t ( t ) ^ m <-^-'F(s. (16. Screened Coulomb Potentials Since for s — oo : cos Qt = 1 H n ~* °° > 2?* and (from Tables of Special Functions) farM-oo: Pa(z)* ^+l]\(2zY.e. 42. Predazzi and T. as we discussed briefly in the above. The slope of the Regge function an(k2) is an " Simple cases are the harmonic potential and the square-well potential. of course. the amplitude can be represented as a sum over ^-channel Regge poles.35) This result is valid for s — oo and t negative (cf.e. Apart from more refined details. Foissart [223]. for high energies in • > the s-channel). if ao(t) is the Regge pole with largest real part.336 CHAPTER 16. p. The > result demonstrates that the high energy behaviour of an s-channel reaction is determined by the leading Regge trajectory in the crossed ^-channel. Regge [229]. K. Eq. i. 16. Bose and H. Potentials with a short-range repulsion more singular than 1/r 2 have been considered by N.6 Concluding Remarks The potentials we considered above have wide application under the name of Yukawa potentials in nuclear physics and as screened Coulomb potentials in atomic physics. The logarithmic potential has been investigated in a way similar to the Yukawa potential above by S.t)&B(t)sa°V. In subnuclear physics they played an important role before the advent of the quark idea and thus of quantum chromodynamics. It follows that under these conditions. In particular.

Miiller-Kirsten [209]. For an overview see e.g. J. a composite particle being one with structure. H. and also as so-called "fixed poles" . and is composed of quarks. The small imaginary parts of eigenvalues or lifetimes of resonances have not yet been calculated.6 Concluding Remarks 337 important parameter in string theory. like a meson or a baryon.** Whereas the former are related to absorptive properties of a reaction. The above treatment of screened Coulomb potentials is incomplete. 20. the latter are related to the distinction between "' elementary and "composite particles".16. W. . The way to do this is similar to calculations in Chapters 18 and 20. Related aspects are discussed in Sec. Regge poles are not the only possible singularities of a scattering amplitude in the plane of complex angular momentum. Singularities appear also in the form of cuts in the plane of complex angular momentum.1. called "Regge cuts".

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depending on the parameter k.1 Introductory Remarks Prom the beginning of applications of quantum mechanics periodic potentials of various types were immediately considered.lP = 0 in ellipsoidal coordinates leads to the ellipsoidal wave equation with sn 2 z and sn 4 z terms.Chapter 17 Periodic Potentials 17.0 < k2 < 1. The Schrodinger equation with this potential. the ellipsoidal wave equation reduces to the trigonometric form of the spheroidal wave equation. Taking in the ellipsoidal wave equation the limit k —> 1 (fc elliptic modulus) and putting tanhz = sin 6. is effectively the Mathieu equation whose solution has for a long time been considered as being very difficult. 339 . example 14. p. Arscott [11]. 2K or AK. are not much harder to handle than trigonometric functions. See F. M.* These elliptic equations involve Jacobian elliptic functions like sn(a. In essence these periodic Jacobian elliptic functions. called elliptic modulus.g. 19 and p.) which are functions that interpolate between the n.or 27r-periodic trigonometric functions on the one hand and the non-periodic hyperbolic functions on the other. Apart from the discontinuous Kronig-Penney potential consisting of a periodic repetition of rectangular barriers. since many analogous relations hold. 25. The Mathieu equation can be obtained as limiting cases of spheroidal wave equations and the elliptic Lame and ellipsoidal equations which represent a further level of complication. motivated mainly by the regularities of the crystal structure of matter. Thus Jacobian elliptic functions also pro*To be precise: Separation of the wave equation Aip-\-x2. that the Mathieu equation lies outside the scope of equations which can be reduced to hyper geometric type. and are themselves periodic with period e. separation of Laplace's equation Ai/> = 0 in ellipsoidal coordinates leads to the Lame equation (no sn 4 z term). the most immediate candidate is a trigonometric form like that of the the cosine function. however. K being the complete elliptic integral of the first kind. The reason for these difficulties is.

''The reader who encounters these Jacobian elliptic functions here for the first time. W.. Periodic Potentials vide periodic potentials like trigonometric functions. which is conveniently written ^ + [\-2K2sn2z]y = 0. J.340 CHAPTER 17. . those of integral order. The first of these conditions is already tMathieu equation: R. In fact. need not be afraid of them. which does not possess any polynomial solutions. i. each with its own characteristic eigenvalue. B. [205]. the Lame equation possesses 2 n + l polynomial solutions. Both of these domains are important for a host of other considerations. which one looks up in books like that of MilneThomson [196] or Tables when required. See also the discussion in Sec. c n z and d n z are handled with analogous formulas. or S-w&ve Schrodinger equation with elliptic potential. the three Jacobian elliptic functions s n z . 8.4. cosine and tangent.1.e. We might mention already here the much less familiar but more general Lame equation. Lame equation: H. W.1. Like the trigonometric functions sine.2 .7. 17. (17. The cosine potential of the Mathieu equation can therefore more precisely be described as Mathieu or trigonometric potential and the potential sn 2 (x) of the Lame equation as Lame or elliptic potential. k2 — 0 which means that in > > this limit the Lame polynomials degenerate into the periodic Mathieu functions.. (17. The most important formulas for our purposes here are collected in Appendix A. and to relate these to the weak coupling bands or regions of stability.2h2 cos 2z]y = 0. or 5-wave Schrodinger equation with the cosine potential is conveniently written d2v — | + [A . This is a significant difference compared with the Mathieu equation. A main objective of this chapter is the calculation of these level splittings following the original calculations of Dingle and Muller^ with the perturbation method described in Sec. Miiller. these periodic potentials may be approximated by series of degenerate harmonic oscillator potentials.1) where h2 is a parameter and — IT < z < IT. such as sn 2 z + cn 2 z = 1 and double and half argument formulas etc. The Mathieu equation. Dingle and H. Muller [73]. The finite heights of the periodic functions of the potentials permit tunneling from one well to another and thereby produce a splitting of the asymptotically degenerate harmonic oscillator levels. For large coupling. J. Here the Jacobian elliptic function sn z is a periodic function analogous to a sine function and has real period 2K} For n = 0. it is this difference which implies in the case of the Mathieu equation the existence of the parameter function v called Floquet exponent^ The Mathieu equation can be obtained from the Lame equation in the limit of n — oo.2) where K2 = n(n + l)k2 and n real and > —1/2 and 0 < z < 2K.

^ 17. 17. y" + \y = 0(h2).1 The Floquet exponent We consider the given Mathieu equation with argument z and compare this with the same equation but with z replaced by z + ir. In classical mechanics stability is treated for instance in connection with planetary motion.e. Looking at the Mathieu equation for h? —> 0. we see that in a plot of h2 versus A. the semi-axis A > 0. we see that for sufficiently large values of h2 the periodicity or boundedness of the solution is destroyed and hence becomes one of instability. i. i.2. The instability of an orbit would be evident either from an unbounded spiralling away to infinity or from a collapse into the centre. Thus a bounded trigonometric solution is indicative of stability and an unbounded exponential solution of instability.e. i. Correspondingly quantum mechanics — which requires the electrons of an atom to move around the nucleus — explains the stability of atoms. Vachaspati [242]. Thus the solution of the appropriate Newton equation is essentially a periodic function like cos 8 (in the case of planetary motion this yields the polar equation of an ellipse). h2 = 0 belongs to the domain of stability. we compare the For interesting related discussions see M. i. . and one can imagine that a nontrivial parity factor exp(in7r) then turns into a complicated phase factor exp(iz/7r). these concepts are rarely explained as such there.e. Our considerations below are deliberately made simple and detailed because their treatment in purely mathematical texts requires more time to become accustomed to.1. Although the mathematics literature on the subject uses the physical concepts of stability and instability. Salem and T. The orbits of planets are stable in the sense that deviations from the recurring elliptic orbits are small. a bounded function. It is this additional parameter function appearing in the solution of the Mathieu equation which attributes the equation its reputation as being particularly hard to handle. Adding the negative term — 2h2 cos 2z to A.2 Cosine Potential: Weak Coupling Solutions We consider first the weak coupling case. 17. as in Fig.2 Cosine Potential: Weak Coupling Solutions 341 seen to rule out polynomials. the case of h2 small.17. since the solution there is of the form cos vAz. Here an important aspect is the determination of the domains of stability of the solutions and the boundaries of these domains.e.

2/(0)' yfr) .B and a. b: y(z) = A cos vAz + B sin \f\z and y+(z) = a cos yXz. y+{z)- .342 CHAPTER 17. d(z + TT) cos 2z We see that there are solutions which are proportional.4) with (for convenience in connection with later equations) y'+{z) y'_(z) = avAsin-\/Az = = bv\cos^f\z = —y-(z). i. we obtain y(vr) y(2?r) a = — — a = —^^r. d2y(z + 7r + [A . ° ^ [1 + 0(h2)}.2/i2 cos 2(2 + vr)]y(z + vr) = 0. (with Tn as translation operator) Tlxy{z) = y(z + TT) = cry{z). We set (here and in the following frequently apart from contributions of 0{h2)) with constants A.e. y(0) Now suppose we write the equation for h2 small y" + Xy = Then solutions are y(z) oc e ± ^ [ l + G(h2)] or C S 0(h2).2h2 cos 2z]y(z) = 0. TT. a = const. i. y(2vr) 2 a = —7—^ = 1. Periodic Potentials equations ^ p + [A . sin V Az or linear combinations. (17.e. (17. A solution of the second order differential equation is determined completely only with specification of boundary conditions which determine the two integration constants.3) The parameter a is therefore the eigenvalue of the operator TV Our first objective is its determination which amounts to the determination of the parameter called Floquet exponent below. y~(z) = 6sin vXz. — • . Setting z = 0.

We can write therefore. The roots a± are therefore obtained as 2bV\y+(ir) ± J4b2\yl(Tr)-4. y'(z + n) = a[ay'+(z) + py'_(z)}. [y+(v) . and by'+(?r) = —ay/Xy-{n). whereas the solutions y+ and y_ have here been chosen specifically as even and odd around z = 0 respectively. Setting in these last equations z = 0 and using the previous pair of equations and the boundary conditions. This expression is equal to the coefficient of a2 in the quadratic equation for a. (17.y+(7r)y_(7r) = 0 or abVXa2 . y'_(Q) = bV\ with Wronskian W[y+.a2b2\ a± ~ 2a6\/A .aa][y'_{-n) . 2/'(7r) = a ^ W + ^ . 7 y\z) = ay'+(z) + (3y'_{z).2 Cosine Potential: Weak Coupling Solutions 343 The solution y(z) is an arbitrary solution.4). (17.y-{ir)y'+{K) = abVX in agreement with its value at z = 0 above. yV(0) = 0.{ay'_{ir) + bV\y+(ir)}a Now from Eq.3) we obtain y(z + ir) = a[ay+(z) + @y-(z)]. with constants a and /3.y_] = y+(0)y'_(0) — y_(0)y+(0) = ab\f\. we choose these with the following set of boundary conditions: y+(0) = a. y{z) = aty+(z) + 0y-(z).y+(7r)j/_(7r)} = 0.17. ay'~(ft) — bVXy+(n) and the Wronskian w + {y+(7r)y/_(7r) .oWX] . we obtain V (TT) = ay+ (TT) + (3y _ (TT) = < [aa]. Using Eq. 2/_(0) = 0.W or fy+(n)-aa J/_(TT) = W ^ ^ J a ^\ = n For linear independence of a and /3. \y+>y-\ = y+{ir)y'-{ir) . the determinant of the matrix must vanish. i.e. This means.

8. Eq. Prom this condition we determine later (cf. (17.0 This series may be reversed t o yield the Floquet exponent. where the constants are usually taken as unity from the beginning.2 + 2 9 ) ^ 2 + 64(1/2 _ 1 ) 5 ( z / 2 _ 4 ) ( l / 2 _ 9) + u ^ ^ ^ . _ / ± v 7 ^ V .8) "Observe that for integral values of v (in lowest order of h2).6) We can derive various terms of this expansion perturbatively with the method of Sec.= — . This is the easiest application of t h a t method since only simple trigonometric expressions are involved. **This point is not immediately clear from mathematics literature. Periodic Potentials g= 2aby/\.. we have <7± — CHAPTER 17. i.1169)/i 12 64(A-l) (A-4) (A-9) 5 2 + 0{hw) r 16 (17. ** An important consequence of Eq.455A2 + 1291A .22)) the boundary conditions of periodic solutions. (17. . (17.e. 5 a Prom this we see t h a t (as one can also verify explicitly with some manipulations) one root is t h e inverse of t h e other.5) a The parameter i/ is known as Floquet exponent. we have for the sum of the roots a+ + <7_ = 2 cos TTV or" C O S T T I ^ ^ ^ C O S V A T T .5) is that for h2 = 0 we have v = A/A and hence more generally v2 = \ + 0{h2).+ 2 2(i/ -l) 32(i/2-l)3(v2-4) ( 9 ^ + 58.e. <T_|_ + <T_ = 2y + (vr) . i. (17. (5i/ 2 + 7)/i 8 vz + — . Setting cr+ = e .344 Setting / = 2by/\y+(Tr). .7. <7_|_cr_ = 1. 2 _ hA 2(A-1) (13A-25)/i8 32(A-l)3(A-4) 12 ift (45A3 . this implies y+(Tr)/a = ± 1 . This calculation is demonstrated in Example 17. T h e result for A is the expansion A = h4 2 . cr+ = 1/<T_.1. Thus this Floquet exponent is determined by the value at z = -K of t h e solution which is even around z = 0 and is independent of the normalization constant a of t h e even solution.

2 how the expansions for small values of h2 may be obtained perturbatively.1 below one obtains the following expansion for cos7rz/ which is fairly obvious from Eqs. (17.e. (17.35A + 8 . — 2/i 2 A and insert this into the Mathieu equation y" + [A — 2h2 cos 2z]y = 0. Example 17. 124. Meixner and F. 8. VA = ±n.9a) and is therefore not derived here in detail^ ri/ = VA + rCOS7Tf = COS7TVA + /l 4 h4 7rsin7rVA -= 4\/A(A .1: The eigenvalue A for non-integral v and h small Use the perturbation method of Sec. = J—^ + o(hr). cos TT\/A 32A(A-1) 2 . p. (17. n an integer. which can then be rewritten as Dvy = 2fe 2 (A + cos 2z)y.17.12) S e e J. (17. Schiifke [193].2 Cosine Potential: Weak Coupling Solutions and so 345 (8 . With a perturbation theory ansatz for y+ around h2 = 0 as in Example 17. we must have a2 — 1 and hence e 2iv/A7r = 1} i.11) or smvz or e±ivz.jl2. as will be done later. It follows that in these cases i? = n2[l + 0(h2)]. W.7 to obtain the eigenvalue A as a perturbation expansion for nonintegral values of v and b? small.9b) TT2 Next we observe that if we demand that the solutions y+ (z) and y_ (z) satisfy the condition (17. (17. Solution: We write the eigenvalue equation A = v2. (17.10) A = n2. For these integral cases of v we demonstrate in Example 17.3). .35A + 15A2)/l8 /. To lowest order the solution y is j / ° ) = yv = cos vz n where d2 Dv:=—~+u2. These cases therefore have to be dealt with separately.„„ x n.5) and (17.1) 15A2 .9a) 4(1-A)>/A 64(A-4)(A-1)3A^A One observes immediately that these expansions cannot hold for integral values of v or A. rr +h* 3 =7rsin7rvA 64(A-1) (A-4)AVA +Q(h12).

With our perturbation formalism — as demonstrated in cases considered in Sees. me±v(z. where except.h2). sev(z. or A = 0(/i 4 ). so similarly yW leaves uncompensated / # > = ft2 ("• v ~ 2 ) R (o) ..2)j/„_ 2 + {v. se and me as* oo i y = „«>) + yW + i.v + 2)yu+2].3 and 19. v . 17. Meixner and F.11). Proceeding in this manner we obtain the solutions ce. as shown.14) = = = cos(y+ 2)z + cos{y— 2)z. so that also Dv+ayv+a and hence Dv+a = Dv + a(2v + a) and Dvyv+a = -a(2u + a)yv+a(17.2.h2). The right hand side of Eq.3.2 — we can write down recurrence relations for the perturbation coefficients pa(2j) together with boundary conditions. ("• ^ + 2) (o) 2(2^ .2) — 2 "^ -2(2i/ + 2) " + 2 vanishes.e. and (v.15) Hence a term fMy„+a on the right hand side of Eq. i.16) directly into the original equation in the form of Eq.16) *These small-h expansions are convergent.2) _ _|_ _ (y. siniy + 2)z + sin(i/ — 2)z. in each case 2cos2z2/„ = 3/„ +2 + j / „ _ 2 . up to 0(h2) we have A = 0. . v) = 0. since j / 0 ' = yv leaves unaccounted R\. h2). Next we treat terms yv+a in j / 1 ' in a similar way. e ± i ^ + 2 ' 2 + e±i("-2)z.2) which applies when v is nonintegral. of course. (17. (17.13) The first approximation y(°) = yv leaves unaccounted on the right hand side of Eq. see Example 17.e. when a = 0 or 2v + a = 0. for instance. by J. i.!/) = 2A We now observe that DvVv = 0. (17.e.346 CHAPTER 17.e. (17.v±2) = l. . Schafke [193]. v . i. v)yu + {v.v— 2) 2 ^ + yu+2 Vv 2 y (D = h _2(2u-2) -2(2i/ + 2 ) ' Then up to 0(h2) the sum j / 0 ' +y^ is the solution provided the remaining term in Ri. The recurrence relation can also be obtained by substituting the right hand side of Eq. (i/.„ + £ h2i £ P2i(2j)yv+j (17. . Periodic Potentials The complete solutions of these cases are written respectively in self-evident notation cev(z. W.14) therefore leads to the following next-to leading order contribution (v. h2(u.11) and so in R}?' may be cancelled out by adding to j / ' 0 ' the new contribution -a(2v + a)' = 0. (17. (17. = .(2) + . '.11) terms amounting to i?i 0 ) = = 2 h 2 ( A + cos2z)y„ = 2h2Ayu + h2(yl/+2 + y1y-2) h2[(v. We observe that in these cases 2cos2z cosvz 2cos2z smvz 2cos2ze±il/z i. (17. We assume for the time being that a ^ 0 and 2v + a ^ 0 (the latter case requires separate consideration.

one has to deal with each integral case separately as in the following example..u) + h4 (". i.1 we now have the situation that the contribution y\ to the entire solution leaves uncompensated on the right hand side of the equation the terms amounting to R(°li = = 2 h 2 ( A + cos2z)3/„=i =2h2Ayi+h2(y3 h2[(2A + l)yi+y3]. 121. 2 ( 2 i / . . is set equal provided the coefficient of the sum of the contributions in 3/1 contained in R\ to zero.2—r——— (i/ + 2. Hence we obtain 0 = /i 2 (2A + l ) f h4 + ••• . These expansions are actually convergent with a definite radius of convergence as explained in the mathematical literature. . Schafke [193]. 0 = h2(u.R{ . J. Solution: We start as in Example 17. * Note. v) ' ( 2 v + 2) (17. we obtain immediately 0 = 2Ah2+ 2(^T)+-' which verifies the term of order h4 in Eq. (17. The higher order terms naturally require a little more algebra.18) Again applying Eq. See e.2 ) v(y-2. .. For v = 1 we then have yi = cosz = y~\.1 with A = v2 — 2h2A but with v = 1.. We consider the specific unperturbed solution yv = cosvz which is the dominant contribution j / ° ) of our solution y. Meixner and F. ..17. p.2: The eigenvalue A for u=l and h2 small Use the perturbation method of Chapter 8 to obtain the perturbation expansion of A for v = 1 and h2 small.g.14).15) (but with v — 1 and a = 2) we obtain the next to leading contribution to the solution as (i) = h2 =_fe2 V {-2(2v + 2)}„=1y3 8 y3' This contribution leaves uncompensated the terms amounting to R\ = ~ — 2h (A + cos2z)j/ 3 o = -—[Ay3-\ 4 \ 2 Hence the next contribution to the solution is 4 V -8 2(-4)(2 + 4 ) / 4 V -8 -48 Proceeding in this manner we obtain as the complete solution the sum y = y(0)+yW+y(2)+. fo^ + 2) ."-2). (17. W. Following the first few arguments of Example 17.17) Inserting 1 for the step-coefficients of Eq. This completes the determination of the solutions for nonintegral values of v in the domain of small values of h2. the solutions are not yet normalized. Example 17.2 Cosine Potential: Weak Coupling Solutions 347 together with the equation determining A. In the case of integral values of i>. (17. „ .e. + y~i) (17.. however.v)-\ .7). thus determining the quantity A.

Jo dz cos z h2 cos 3z - iC2T It J--* cos z H 64 cos 2 3z - 64 It follows that 128 and the normalized solution is therefore h2 Vc . COS 6Z • 128 h2 COS 2 • COS 3 2 - h / c o s 32 16 cos 5z -48 cos z 32 in agreement with Meixner and Schafke [193]. i. 120. J. h2).348 From this we obtain -2h2A = h2 CHAPTER 17.e. (17.* The associated solution is ym+ym. In the above we considered the case of v an integer and calculated the eigenvalue A. *" J-ir Thus we have and uses / dz cos mz cos nz = — <5 mn . Eq. We introduce a normalization constant c and rename the normalized solution y then yc.24c) below) . With normalization (not to 1. Periodic Potentials h4 r ••• . see below!) one obtains the additional terms given by Meixner and Schafke [193]. W. Schafke [193]. the case of A an integer. h4 (17.19b) This expansion agrees with that given in by Meixner and Schafke [193] (p.n integers. p. m. 123) (there the solution is called cei(z. h2)) except for the overall normalization which implies that in our (still unnormalized) case above there are no contributions cos z in the higher order contributions. The specific normalization here is taken as I /*7r r-n 1 = — / dzce2(z. The reverse situation is later of importance. cos z h cos Zz 8 h2 h4 ( cos 3z cos 5z — cos iz A 1 8 4 l -8 -48 h4 (cos 3z cos 5z 1 4 I 16 -48 (17. We consider this case again in an example. . Meixner and F. Inserting this into A = v2 — 2h2A 8 for v = 1 we obtain (cf.19a) This expression agrees with the result given in the literature (there the eigenvalue is called ai). and v is to be found in ascending powers of h2.

2 Cosine Potential: Weak Coupling Solutions Example 17. o 1-• • • . so that 2 2 cos nu = cos 7r(2 + S) = cos 27r cos TC8 = 1 and comparing with the above. .4 ) + . fe47T2(A-4) 4%/A(A .9b) v — 2 + <5. (17. Manvelyan. J . Gubser and A.3 5 A + 8)TT2(A-4) _ 3 / / 64(A .9b) and considering the approach A — 4 gives > -(A-4)2 + .1) . We thus obtain the expansions cos"\/A7r sinvAvr = = cos27r + (A — 4 ) ( — s i n V / A 7 T ) A = 4 — = + --.Q .. Liang and Yunbo Zhang [189]. Substituting these expressions into Eq. 128A2(A-1)3 + 0(h12) in the limit e — 0 > Hence — observe the cancellation of factors (A — 4) in the term of 0(hs) h TT (ll C O S TTV = 1 H S 2 x 1 6 . ^S.3: The Floquet exponent i> for A=4 and h2 small Show that the expansion of the Floquet exponent v around \f\ complex expansion: v = 2- 349 = 2 is given by the following iVE/h 3 \2J 7% h (108^/5 \2J 8 1185H (h 31104^X2 Solution: We proceed as follows which demonstrates explicitly how the singular factors cancel out systematically. (11A2 .= l 2vA sin27r + (A — 4)(cos vA-7r)x = 4—= + ••• = j= h •• • . on the left hand side of Eq.. S. W. we obtain^ S 3 V 2 and therefore i/ = 2 - iy/E ( h 3 \2J 7i -.1)2-/A TT2 +h8 (15A2 . (17.4) 2 7T 2 /l47T2 + • 8 h87T2 8A(A .1) (A . We set A — 4 ~ 4e and expand the cosine and sine expressions appearing in Eq. . J.3 1 A + 8) ( A . Hashimoto [124].('108\/E\2/ Expansions of u for integral values of vA have recently been given with a larger number of terms:^ l//i\4 3 el 2J 1 fhy 15 1 2 / + \/A = 4 : v § 311 4320 V 2 ' + 1555200 V 2 + 137 (h\° 305843 (h 12 27000 I 2 ) + 680400000 V 2 133 (h 12 + ••• R . (17.3 1 x 4 + 8) 274233 (.17.• 1 + 5n h 2 s 2932 Setting in cosm. Miiller-Kirsten.4)Av A2v A ~ 32A(A .l ) 2 (A . H.9b) about A = 4.

for instance. solutions for integral values of v. Periodic Potentials Our next immediate aim is to specify the solutions for which Eq. 28 . pp.e.2 Four t y p e s of periodic solutions The Mathieu equation allows four types of different solutions — briefly: Even and odd solutions of periods TT and 2ir.2*0 y~(z ± 7t) = 6 sin VA(z ± TT) = y_(z)cos VA7r ± 6 cos vXzsin v\ir. may also be found.4) into account.21a) and (17. Taking in particular Eqs. (17.10) applies. .w^. = and s+w 2tW±I. Arscott [11]. in F.W4W=UtWSta±I(. we have" y+{z ± 7r) = a cos vA(z ± TT) = y+(z) cos vXir = TV-{Z) F sm v<\7r.1 Boundaries of domains of stability. We now derive these boundary conditions. M. as also conditions (17. 17. These are defined by specific boundary conditions. 17. "These conditions. We verify these for the large-/i 2 solutions in Example 17. (17.29. i.350 CHAPTER 17.6. concentrating again on the leading term in the even and odd solutions y±(z) for ease of understanding. bV\ y+(0) 2/40) 07. Fig.21b)..2.

Then y+ -K 1 _ 2/+00 7T y- V + (f)[i + 2/±Ml ^ ] y'-il) 2y_(f )i/+(f. ^\y±M /vr\yL(7r) . Then y+ -y- 351 U . /TTW^) 2j^T±y+V2 From these equations we obtain y+{ir) in terms of functions at TT/2 by eliminating y'+(Tt) from the first and the third equations. f^\y+(j) /vr\y_(7r) and for the derivatives ^(i)^^'-(D^ . we obtain y+(7r) _ i | 2y_(f). . which after some rearrangement can be written y+(vr) _ .4(f) (17.21a) Since (with the help of the Wronskian) *W4)MM?)-^ we also have y+(v0 _ . . o y+(fy-(f)-ob\/A _ = 1 + 2I&A/X .2 Cosine Potential: Weak Coupling Solutions We select the equations with lower signs and put z — TT/2.17. 1+ y+(f)^(f)-y_(f)yV(f)' 7T Using the Wronskian (which we actually had above!) W[y+. /7r\j/!_(7r) y L l 7TJ .y- V+ \ 2 7"^ V 2 f-la^+U a cos V A | ] 6^A + a&( sin\/A-j ^A = abV\.

the case of ai with solution cei (of period 2-7r). sei = sin 8 64 /i4 h6 a\ = 1 + h2 — .+ .1).1.24d) v 12 ' **To avoid confusion we emphasize: In Sec.2 we require this relation for nonintegral values of v..— — — • • • . and whether the function is even or odd. Periodic Potentials and hence** a afc\/A For integral values of v (in lowest order of h2) we know from Eq. (17. (17. of v is even or odd. This is shown schematically in Fig. where the notation for the corresponding eigenvalue is put alongside on the right: y+(f) = 0 with y+(f) = 0 y'-{\) = 0 with y _ ( § ) = 0 with with A .. (17. The ordering of the eigenvalues which then results is a0 < bx < ai < b2 < • • • < bn < an < • • • for h2 > 0.24a) ao = hA h6 b\ = 1 — h —— + — — • • • .. (17.22) -* a2n+i(h ). A 2 y -• ce2n=q0-i. was treated in detail in Example 17. (17. 27r. A -*• b2n+2(h2). Thus for these solutions the right hand sides of these equations imply the vanishing of the functions y± or their derivatives at z = ir/2. in this order. 17. se2 = sin 2z 2 12 13824 ' h2 z —— sin 3z + • • • . A -> b2n+i(h2).24b) 8 h2 z —— cos 3z + • • • .T + . y -> se 2n +2s 9o +i The functions so defined have respectively period 7r. These are defined by the following boundary conditions. 2-K. We see that there are four possibilities and hence four different types of functions..3.• a2n(h2). Mr7nA (17. (17. y -> ce2n+i=qo.24c) 8 h2 sin 4z -\ .' fh2 V2ceo = l . IT.23) We can now see how the domains of stability and instability arise.21b) must be ± 1 . (17.. There the second term on the right is nonzero. 19.5) that the left hand sides of Eqs.2): hA 7h8 29h12 + -Y l28-^04. ce± = cos 8 64 h4 5h8 b2 = 4 1 .1 for the first few eigenvalues which are boundaries of domains of stability (as discussed in Sec.352 CHAPTER 17. . .21a) and (17.. These may be subdivided into classes depending on whether the integral value n — 0. 17.2. Finally we cite here some expansions of the eigenvalues along with those of the associated solutions (an explicit example. y -> se2n+i=qo.

> (17.3.17.3 Cosine Potential: Strong Coupling Solutions „ 5/i4 a2 = 4 H 12 763/i8 . 13824 . . W.2cos4.2 The cosine potential. of course. 353 . The main objective of the present section is therefore the calculation of the tunneling effect in the form of a splitting of the otherwise asymptotically degenerate harmonic oscillator levels j t Fig. In the case of the cosine potential. the walls are not infinitely high and hence tunneling occurs from one well into another. We can see from the inverse of Fig. Consequently one expects the eigenvalues in the large h2 domain to be given approximately by those of the harmonic oscillator.1 that the boundaries of regions of stability merge to lines. 17. 17.2 suggests that for very large fluctuations the potential can be approximated by a number of independent and infinitely high degenerate harmonic oscillator potentials. Dingle and H.3 we show schematically how the low energy solutions for integral values of the Floquet exponent are related to the asymptotically degenerate harmonic oscillator eigenvalues.3 17. The cosine potential cos 2z depicted in Fig. 17. .1 Cosine Potential: Strong Coupling Solutions Preliminary remarks In the case of large couplings h2 we observe from Fig. B.2 or by calculation that the potential 2h2 cos 2z has (harmonic oscillator-like) We follow here R. .hz — 12 . 17. J.z-3 ce2 = cos 2z .24e) 17. Miiller [73].17„. 17. Since we have already a definite notation for the levels (boundaries of regions of stability) in the domain of small values of h2 we naturally want to be able to relate these correctly to those in the asymptotic laige-h2 domain. Thus in Fig.

where A / 8 is a remainder.. (17. Ion (17. Sees.27) .2 The solutions We insert Eq. In the case of finite heights of the potential barriers.2 and 8. Taking the remaining terms of the cosine expansion into account.2. Thus in this case the quantity on the left is not an exact odd integer.25) This is a Weber (or parabolic cylinder) equation which we encountered earlier (cf. Periodic Potentials minima at z — ±ir/2.1.26) 17.26) into the original Mathieu equation and obtain y" + 2h q + rrx-r . We therefore wish to expand it about these points. n 0. Thus we rewrite the Mathieu equation as y" + A + 2hz cos 2 \z ± -7T y = 0 and take c o s 2 [ z ± ..3.354 CHAPTER 17. 8. (17.. we therefore set 9 A A = -2h2 +2hq + —. 4 (17. simply the one-dimensional Schrodinger equation for the harmonic oscillator. This equation has normalizable solutions for X + 2h2 2h q0 = 2n + 1..3) and is.2/i cos z V = 0.i r ) ~ 1 — 21 z ± -7r Changing the independent variable now to the equation is approximated by A + 2/t2 dx2 + 4/i 2T y = 0. as in the case of the cosine potential. there is tunneling from one barrier to the next. but only approximately so. and we set this equal to q. of course.

31) We make the important observation here t h a t if one solution of the type (17. 16/i/ (17.29) the equation can be written in the form D^A where 1 2 6 /i (16A" + 2 A ^ ) .3 Schematic picture of Mathieu equation eigenvalues. can be .29) is known. 2 (17. the linearly independent one. z).3 Cosine Potential: Strong Coupling Solutions 355 For h —> oo the solutions of this equation are y ~ exp I ± 2h / Writing y = obtain J 4exp(±2/isin cos zdz I = exp(±2fasin z). (17. (17. another solution.30) D A): COS « = 4z + 1 iq sin 2. (17.27) we )A = 0. 17.+2h': 2h level splitting oscillator 2nd excited state associated solutions A^9 h=4 oscillator 1 st excited sate ^1 oscillator ground state A^Oh 2 large h 2 =0 Fig.17.28) A" ±4hcos zA' + 2h[ q =f sin z -\ A. Choosing y(z) = A(z)e2hsinz. and substituting this into Eq.

\z To lowest order the solution A is A^> = Aq.g + 4) . 2 /i D^Ag = 0. The solution Aq(z) of the first order equation Dq Aq(z) — 0 is c o s ^ 1 ) ( \K+\Z Aq{z) = sml(9+i) ( ivr + \ z ) COS 2 9 |( -D I\n+\Z (17. when i = 0 — the terms not involving Aq in (17. Periodic Potentials obtained by changing the sign of z or alternatively the signs of both q and h throughout.36) Then ^4. .356 CHAPTER 17.4 ] ._ 4 .34) The leading approximation A^ = Aq therefore leaves uncompensated terms on the right hand side of Eq.4)A. ? . 2 A A = («. i. ? .33) (17. D{q%Aq+4i = 0. (17. (9-l)(9-3).9 + 4) = (9.9-4) = (9 + l)(9 + 3). With some algebra one finds that 16^ + where (9. (17.30) can be cancelled out by adding to A^> a new contribution — fiAq+4i/2i — except. 2[(92 + l) + A]. 1 + 4 ) ^ + 4 + (^.4 ) ^ .32) cos^'+i) [\K .35) But since and so a term iiAq+n on the right hand side of Eq. ^ ) A + ( ? . (9.^ 6T [(«>« + 4 ) A ? + 4 + (Q.35) not yet taken care of is set equal to zero. Aq+4 2Jh . (17.30) amounting to Ri ] q = .35) can be cancelled out by adding to A^ the next order contribution A& = 1 (g.9) (9.e.Q)Ag + ( ? . of course.(°) + A^ is the approximation of A to that order provided the coefficient of the term in (17.9-4) -\ — Aq-4 (17. (17.9) = 0. (9.

A(z.q 4)Aq+4 q + 4 1 q + + + + + <^(. In its turn the contribution A^1' leaves uncompensated terms on the right hand side of Eq. an associated solution y — A(z)e~ with the same eigenvalue and thus the same expansion (17.40) .4 .38) Aq-8 + -1 -2 Clearly we can continue in this way. q . h) = A(-z. A.8)A. to satisfy Eq.g + 4)(g + 4. h) = A(z.37) and so on — left uncompensated — must vanish. q . -h).39) is obtained by changing the sign of z or alternatively the signs of both q and h throughout.37) Here all the terms.17. (q. Q .q + 4) (g. Thus in particular A(z.30) and hence y = Ae2hsmz to be a solution of the Mathieu equation. . q.4) (q .3 Cosine Potential: Strong Coupling Solutions 357 This equation determines the quantity A in the eigenvalue equation to the same order of approximation. q. -q.30) amounting to RW 9 = fag+ — 2?h 1 ^ 2™h? +< 4 ) R(o) \ ._ 8 (17.4) -1 -1 (q. Then for A = A(0)+A(D+A(2) + . (q.4) (q .g) 26/i L_ 2 13 /i 2 ^±A{q + ^q) + —1 ^A{q^q) '17. We note here again that if one solution y = A(z)e2hsmz 2hsmz is known. ) ^ 4. can be taken care of by adding to A^ + A^ the next order contribution A^2\ where A (2) 2h u 2 (q.35) and (17.q 8)Aq+8 (o)' ^±V(q 1 4. q . q (17. q.39) which is the equation from which the quantity A and hence the eigenvalue A is determined. (17.g-4) 4. . (17. h). except those involving Aq. .4.g + . (17.<J+4 Aq+& + 1 2 1 ..)+ & ! = « ( ..q + 4)(q + 4. +4. Thus 0 = (g. the sum of the terms in Aq in Eqs.4.. (17.

43) 9 2eh . We observe that for the large values of h we are considering here. i. 2 w2 + H* (17. this means the solutions are valid in particular around z — 0 since then l / \ / 2 3> l/Vh ~ 0.41) so that the early successive contributions decrease in magnitude. and discussed there.358 CHAPTER 17.28) and write the upper equation for a solution y = Bexp(2hsinz) in new notation B" + 4/icos zB' + 2h( q-sin Changing now the independent variable to w{z) = iVhcOS I -7T + -Z I .45) {B) We recognize Dq as the differential operator of the Hermite equation. a solution Bq(w) of the equation Dq Bq(w) — 0 is Bq(w) oc He^^^iw). Before we study the eigenvalue equation in more detail.46) 2s(«." Hence in dominant order the solution B is JB^0) = Bq[w and it is convenient to set Hei Bq(w) = 1 (9-1) H (17.67). . Periodic Potentials Finally we note t h a t the above trigonometric solutions of t h e Mathieu equation are valid in the domains cos 1 4 1 -Z -7T ± » 1 2 VK' (17.i ) We encountered Hermite polynomials earlier in Chapter 6. We return to Eqs. where Hen{w) is a Hermite polynomial when n is an integer. The differential equation there is Eq. Note different definitions in use.e. (6. we show that two other pairs of solutions with a similar coefficient structure and the same eigenvalue expansion can be found which are valid in adjoining domains of the variable z.) i ( Q . (17. it is found that D(B) z+ — ]B = 0.44) where D(B) 9 = dw2 $_ !)• (17.d2B w dw2 + w(l w dB_ dw d dw 1. (17.42) (17.

3 Cosine Potential: Strong Coupling Solutions 359 because then as shown in Example 17.qi)Bq_4.e.. y — Cexp(2hsinz) and Cexp(—2/isinz).e.47) where the coefficients are the same as before. The solution with contributions B^°\B^>. (17. A{wz (17.. (17. Finally we obtain a third pair of solutions. (17.7 T H 1 2 Z 4 <1.e.51) . i.17.3 ) \He* ! (9+1) H. the expansion for the quantity A being identical with that of the previous case.49) Then the dominant order solution is C^°\w) = Cq{w) with and — again choosing the multiplicative factor suitably — Cq(w) = 2i(" +1 ) ^ . as in Eq.. which is an amazing and unique property of the Mathieu solutions — cf.e.48) This shows that this solution is valid in particular around z = ir/2. 16hJ (17. i. forms a rapidly decreasing expansion provided that \w (z)\ « Vh. q)Bq + (q. i.50) C = 0. i. also the same coefficients in the case of functions C below.34). Comparison with the case of solution A now shows that the form of that solution can be taken over here except that everywhere Aq{z) has to be replaced by Bq(w).sin z + by changing the independent variable to w(—z) = 4v/icos I -7r z (17. .q + 4 ) £ g + 4 + (q.d2Bq + w{l dw2 "» 2 >^-(» 2 + ^ = {q. Again a change in the sign of z throughout yields the associated Mathieu function y = i?exp(—2hsinz) with B[w(z)] = B[w(—z)] and domain of validity in particular around z = —ir/2. 1 COS I . with the equation C" + 4h cos z C + 2h ( q .4 (using the known recurrence relations of Hem{w)) the perturbation remainder can be linearized.

each of them associated with one and the same expansion for the eigenvalue.52) and the coefficients are again the same as before. (17. we have a remainder •R:=w2He„+w(l Using the recurrence relations wHen(w) = Hen+i(w) + nHen-i{w).h) ocB{z.-h). (17. We have thus determined three pairs of solutions of the Mathieu equation.(w2 + -A)Hen.4: Hermite function linearization of perturbation Using the recurrence relations (6. A closer look at that expansion is our next objective.-q. 2' the remainder 72. Solution: Inserting the dominant Hermite function solution into the right hand sid of Eq. Periodic Potentials since then (using the known recurrence relations of He^) ~Mw2^ +w(l+w2)^ + (w2 + o dwz dw V 2 (q.44). Example 17. (9+3) (2n 2 + 2n + 1) + .A Hen .54) where the proportionality factor is complex.(q-l)2(q-3)HeX (9-5)- i(« 2 + i) + iA He-i (9-1) .q. Again a change in sign of z throughout yields the associated solution y = Cexp(—2hsinz) with C[u»(z)] = B[w(—z)] and domain of validity in particular around z = ir/2. . i-e- 1 COS I . These domains of validity are indicated in Fig. (17.4)C g _ 4 .53) This solution is valid in particular around z = —7r/2.360 CHAPTER 17. 17. can be re-expressed as 72 = -(n + 1 ~-(q + l)Hen+2 l)He. q + 4)C 9 + 4 + (q.q. (17. q)Cq + (q.44) can be linearized with the same coefficients as in the case of the trigonometric solutions.w2)He'n . We note that C(z. Again the solutions have the same structure as in the previous two cases and the eigenvalue expansion remains unchanged.7 T 1 2 Z 4 <1. The solution y = C exp(2/i sin z) is a decreasing asymptotic expansion provided that |w(-z)| ^ v^/i. He'n(w) = wHen(w) Hen+i(w). show that the perturbation remainder of Eq.4.n2(n- l)Hen-2 .59d) of Hermite functions Hen(w). 2 J where n=-(q-l). (17.

2 + ^ M 3 + (17.q-4) (17.l)(q . the solution y = exp(2/i sin 2)^(2).0 and —4.55) M2 = M.3 Cosine Potential: Strong Coupling Solutions It follows t h a t with the definition of Bq (w) as Bq(w) that He K . (b) The allowed moves are +4.' 361 in 2*f*-1>[i(g-l)]! = (q.i ) ( w ) 2l(.17.3. r j=-r. q) = 2[(q2 + 1) + A].3 T h e eigenvalues We saw above that along with each solution the following expansion results: -2A = M 1 + ^ M where Mx = 2(q2 + l).. ~l)Aq-4} 2h 1 { P 2 ( < Z 2 + + P2(<? lAq+i ) 8 A ) ' " ' +P2(q.56) (9-4. no intermediate move to or from q being allowed.j^0 e 2ft sin z A + ~ww 1 7 i + ^7ir{ p i(9' ^ ^ + 4 + Pi(q. (q. In addition (c) each move except the last has to be divided by the final displacement from q divided by 4. with (.-l)[l(q _!)]. We can write the solutions obtained previously. -2)Aq_8} + • (17. 17.3).57) .1i . -l)Ag-4 + P2(q.q + A){q + A. ^ 1 Hv" '^ ^' ^ ' . . (q.q + 4)Bq+4(w) + (q. ) . q)Bq(w) + (q.j): y = = = e e2hsinzA{z) oo 2ftsinz r=0 V .g) -1 -1 and so on. e. (q. We see that (a) every coefficient Mr results from a sequence of r moves from q back to q.g..4) = (q .)Bq-i(w). The coefficients have thus been constructed in a way which now allows the formulation of a recurrence relation.q + 4) (q + 4.g-4)(q-4. -.q- 4. (?) 1 1 + (9. q . in the following compact form with coefficients Pr(q. q + 4) = (g + 1)(? + 3).

j) +(g + 4j + 4.g + 4) ^3(9. 0) = 1 and all other P0{q.1) + (g + 4j. g + 4 j ) P r . From the coefficients (17. . Thus we have.P 2 ( g . M2 = P 2 ( g . j) = (g + 4j . g + 4j)P r _i (g.60) M2r+l = = *R. l ) . (17.e. By the above rules we can write down the recurrence relation for the evolution of a coefficient Pr by steps from the coefficients Pr-\: jPr (g. 2) 1 2 ' ' ^ ' ^ 1 (g.j).g + 8)(g + 8. W. j .3) ^3(9.j).g + 4)(g + 4. Miiller [73].j). g + 4j)P r _!(g.l ) .i (g. and in general* M2r = J]j[P2(g.g + 4)(g + 4. r ^JtPr^jO-Pr+lfejV^rfe-jO^r+l^-j)] r 2^jPr(g.j ^ 0) = 0.4. p = (<?><? + 4 ) ( g + 4 >g + 8) .j)-^2(9.58) with P 0 (g. for instance.-j)] = 2j]jPr2(g. Periodic Potentials PlM)=(M+i).g + 12) 1 2 3 (g.g + 4 ) ( g + 4. the factor j removing a duplication of factors in the denominator at the junction._1) = Mzil. x)_ (g. (17.g + 4) 2 1 (g.g + 4)(g + 4. Dingle and H. and the contribution from a sequence of r moves from q + 4j back to g. i.j). J. as jP r 2 (g.g + 8)(g + 8. B.59) One can now write down formulas for M^r and M<ir+\ in terms of the coefficients Pr{q.j).-j) = (-l)rPr(-q.j)Pr+1(g. .Each term in M2r can be considered as the product of the contribution from a sequence of r moves starting from q and ending at q + 4j.g + 4)(g + 4.34) we deduce that Pr(q.g + 4) + 1 1 1 and so on.362 Clearly CHAPTER 17. j + 1) (17. P2(q 2) Pl(g.

as a result of tunneling between wells.92q3 + 70g2 . t Terms up to and including those of order l//i 5 had been obtained by others and by different methods. q is only known to be approximately an odd integer qo = 2n + 1. L. Its precise deviation from qo. as pointed out earlier. Ince [136]. a= (8/i)3(9-x) [1(9-1)]! 1 .* We observe that the expansion remains unchanged under the replacements q — —q. the solutions and eigenvalue expansions again have the same type of symmetries. Goldstein [115].5 the following proportionalities there: B[w(z)] = aA(z). [116]. 17.3. B.2 * +3) + ^ 2 (9g4 . of course.61) +288161796g2 + 130610637) These are the terms given explicitly in the reference cited above. J. Miiller [73]. This means that the in approaching such a domain the appropriate solutions must become proportional in view of their uniqueness. h — —h.284g + 57) + (17.3 Cosine Potential: Strong Coupling Solutions In this way one obtains the eigenvalue expansion A = 363 _2h2 + 2hq-^(q2 1 .^q(33q4 1 220 hA 1 (63g6 + 1260g4 + 2943g2 + 486) 225/i5 rg(527g6 + 15617g4 + 69001g2 + 41607) —3T76 (9387g8 + 388780g6 + 2845898g4 + 4021884g2 + 506979) —WTfs q ( 175045qS + 9702612 ^ 6 + 107798166g4 (17.17. where solutions overlap. It will be seen in Chapter 18 that in the case of anharmonic oscillators.(5q 4 + l)-^Jiq(q2 + 3) + 410g2 + 405) + 34q2 + 9) . Dingle and H. Up to > > this point. 17.62a) f R . *E. W. S. We observe that there are regions. . These domains in the interval —7r/2 < z < 7r/2 are indicated in Fig.4. In fact we demonstrate in Example 17.4 The level splitting Above we obtained three pairs of solutions along with their domains of validity as decreasing asymptotic expansions. remains to be determined next.( 3 ^ .^ . [137].

7T H Aq(z) = = C O S ^ . and determine the constants a and a. Example 17. The first term of the expansion of A(z) is the function Aq(z) given by Eq. a . 17.32).(17.364 and C[w(z)] =a~A(z). Solution: We begin with the solution containing the function A{z).4 Domains of solutions and their domains of overlap.Z (g+1) 1 H 1!4 4 2 1 (g + l)(g + 5) .1 ) ( -7T + . We write and expand this function as follows: .5: Proportionality of solutions in domains of overlap Show that in their common domain of validity B = aA and C = aA. Periodic Potentials + _(3<?+2<? + 3) + 2 15 /i 2 (9g 4 + 92g3 + 70q2 + 284g + 57) + • • • (17._ ^ l CHAPTER 17.1 4 .1 ) ( -7T+ -z 1 — COS 2 1 \-l-^+1> 2 Z C O S S ^ .COS -7T 2!42 \4 2 COS /-l -7T V4 Z H 1 2 Z H 1 2 .62b) *-z domains of overlap Fig.

-3) 1!(8™2) )[i(g-l)]!L Inserting this into the expansion of B[w(z)] = B^ + BW -f • • • where w{z) — 4 / i 1 / 2 cos I -IT + -z J.61) for the connection and Eq.q) 2 7 /i 1 -1 4(g + 3) 1 (g + l ) 2 ( 9 + 3) + -29ft ti(9-l)]l i (8/1)4 ( 9 .i ) [|(9-1)]! It follows therefore that over their common range of validity B = aA with a = b/a.53) for the expansion.i ) 1 (g. the coefficient of the dominant factor c o s ( . Since the solution with A is obtained from that with A by a change of sign of z. (8.36). the coefficient of the dominant factor cos' 9 _ 1 ^ / ' 2 (7r/4 + z/2) in the result is seen to be J (8/i)3 ( g .2 for the case of small-/i2 solutions and thus insure that in both cases the same boundary conditions are obeyed. _ 1 " 2 ( 7 r / 4 + z/2) in the result is seen to be a = 1 2 /i 7 fa. (17. This is essentially the expansion of the parabolic cylinder function with the exponential factor removed — see Eq. (17.g + 4) (q + 4.2. Hence we have to construct even and odd solutions and impose the boundary conditions at z = 7r/2.3 Cosine Potential: Strong Coupling Solutions 365 Inserting this into A = A(°> + A' 1 ) + • • •. As we saw there.46).92q 3 + 70q 2 .2g + 3) 1 [£(9-1)]! 2?h 215h2 (9g 4 .17. For further details and explicit expressions of higher order terms we refer to Dingle and Miiller [73]. A*-1) given by Eq. we have as even and odd solutions y±ocA(z)eZflsmz±A(z)e -2/isin. 17.g. i.63) In Example 17. In order to link our asymptotic solutions with the Mathieu functions of integral order defined earlier in the consideration of small values of h2. These are the conditions of Eqs. (6._i)]! w*te-» 2l(91 (. with e.g-4)fa-3) -1 1!4 / I V/i 2 = 1 (g-l)(g-3)2 2 9 /t Similarly substituting the asymptotic expansion of the Hermite function^ into the expression (17.284g + 57) + • The other relation is obtained similarly. (17.22). \q-l)/2(w) 2i(9-D[i(. s . these are conditions imposed on even and odd solutions at the point z = it/2.-!)(. we have to impose the appropriate boundary conditions. we obtain Bq[w(z)}- H.e. with (8h)li''-1) (3g2 .6 at the end of this section we derive for these \axge-h2 solutions the conditions similar to those given in various equations in Sec.

give the following expressions for polynomials with argument zero: ~19)"(^)!.g. The second of relations (17. one obtains the first of relations (17. 80. He'u{w) = wHev{w)-He„+1{w).63) to the domain around z = ir/2 by using the proportionalities (17.» a \dw _ C[w = 0}c_2h a w=0 = Q (17. Thus y+ = ce and y_ = se. He'v(0) = -Hev+1{0).59d).22) and to correlate the solutions to those for small values of h2. The functions defined as in Eq. Here v is the not necessarily integral index of the Hermite function Hev{w) with Hermite equation ( -j-ir -w—+v)Hev(w) \ aw1 aw J = 0. Magnus and F.66) then follows from the recurrence relation (6.62b).62a) and (17. Oberhettinger [181].66).e.64) These are now the solutions around z — ir/2 which permit us to apply the boundary conditions (17.366 CHAPTER 17. W.e. i. a ± C[w{z)}c_2hsinz^ a (17. p. Then y± oc ^ M e ^ i n . (17.65) For the evaluation of these conditions we require the following expressions involving Hermite functions which we obtain from Tables of Special Functions:^ ^- ( =0) = 2TT2I//2 Fi(^ijii' He2n(0) = ( Ur w=0 •W+m' (17.22) are therefore given by the following boundary conditions: 1T y'+ v+fa-o I'=° y- a a\dwjw=0 B[w = 0]c2h a a -1h dw\ ! ' . Periodic Potentials We can extend the solutions (17. With the help of the duplication and inversion formulas of factorials. . and then replacing 2n by i>. i.66) ^E. He2n+1 (0) = 0.

! ) ] ! [ .Qo) + 0[(q .( g .39 (17.69) If the right hand side of this equation were exactly equal to zero.3 Cosine Potential: Strong Coupling Solutions 367 With these expressions we obtain by insertion into B and its derivative.g0)3]. from which one obtains "1 1) 4<*-3) 2(9-!)/2 2 ^ \b.106g .14) from which one obtains 1 (q + i) TV cos{f(g-l)}[i(g-3)]!' and the duplication formula (2Z)\\/TT = z\(z — l/2)!2 2z .87 4 2 ¥w (17.11. .7. and similarly for C and its derivative.67b) <f ~ 82g^ .1) 7T . and using the reflection formula (8.67c).-» 2 6 /i the condition reduces to the equation cot{ . f^(16h)i/2e-4h 2 [Uq-1)]\ 3(g2 + l) + 2^h2 (9g4 .39 2~^h? (17.67a) g -106g -87 2 14 /i 2 (17. B[w = 0] 2TT _ _g_ ¥h+ g 24/* _ JL g4 .82g2 .67d) Considering now the second of conditions (17.65) we have B[w = 0] _ a C[w = 0] ~ ~ ^ -4/i (17. Hence expanding the cotangent about these points.40g3 + 18g2 .17. (17.68) Inserting here expansions (17.136g + 9) + • • • .\4 q + m { 4« VJ-L ^[±(g-3)]!sin{f(g-l)} [J(ff-l) "(^L-^-»{^-': _ _q_ ¥h + g . the solutions would be given by q = go = 3. we have cot j ^ ( g ~ 1)} = ~\<(l .67c) 4 2 \dw)w=Q C[w = 0] [\(q .67a) and (17.

71) = 2 13 /i 2 fc{l6h)i/2e-4h 1 3(g2 + 1) 2 [4(5-1)]! L (9g4 . Considering now the first of conditions (17.e.528gg + 3307Q .5.40gg + 18gg .120g£ + 467g .136q + 9) + . we use \(q)~\(q0) + (q-q0)(^J .73) We now return to the eigenvalue X(q) and expand this around an odd integer qo. Thus we have 2 (16/i) qo/2 T2 -4. Periodic Potentials ' " Vn [i(go-l)]' 3(g02 + 1) 26/i .(17.70) except that now qo = 1..70) + ^ 2 (9?o . .408g0 + 1089) 2 /i +• (17..h q-qo = * [£(*>-!)]! 1 3(902 + 1) 26h +^^{9q^ .65) we have (dB/dw)w=0 (dC/dz)w=Q Proceeding as above one obtains tan{-(q-l)\ 7T . i.136g0 + 9) + • Clearly the last of conditions (17.65) yields the same result except for a change in sign. The remaining condition (17.65) leads to the same result except for a change in sign.72) This leads again to the result (17.368 Hence we obtain q-q0 a [2(16h)i°/2e-*h CHAPTER 17..40g3 + 18q2 . = _a a 6 _4h (17. .136g0 + 9) 2 13 /i 2 1 4 2 19 3f(9gg ..9. (17.40gg + 18gg .

Dingle and H.2. + ^ 2 (9<?o + 89o " 78g02 . (17.74a) The difference between the value of A (earlier called an and 6 n +i) for the even Mathieu functions ce?0 or ce go _i (upper. made evident by the splitting of the asymptotically degenerate (harmonic) oscillator levels. . (17. J.3. The complete.74a) we obtain for the level splitting in dominant order* x r ^ \ / N 2(16/i)>+1 _4h A+(go) . and not the separation of these as a result of tunneling. In the literature that we follow here* in all cases several more higher order terms have been given.e. In the literature one finds frequently the statement that the splitting is a nonperturbative effect. M. . p.74b) The above results for the cosine potential are in many respects important. 120. just as any solvable problem is important for the insights it offers in a concrete and transparent form. The tunneling effect. Arscott [11]. 20. See also F. Miiller [73]. example 3. Goldstein [116].3 Cosine Potential: Strong Coupling Solutions Differentiating \(q) of Eq.88q0 . (17... this becomes 369 = (16/i)^+1e-4h l . i. The dominant contributions were also found by S.^ ( 3 g 0 2 + 8go + 3) A ( Q 0 ) T (87r)V2[i ( g o -i)]l L2 w . In particular we saw that the perturbation expansion yielded only the degenerate eigenvalue expansion. results from the boundary conditions.t From Eq. n ' r 1 / -rrre 4/l ^odd(go) Seven (<Zo) Wfaqo-m (16/i)T n\V2n e~4h. n = 0. solution of the Schrodinger equation for the basic and nontrivial periodic potential is important for a thorough understanding of its quantum mechanics.87) = Azpteo). 9o = 2n + 1. Effectively the degenerate eigenvalue expansion results from the anharmonic terms contained in the power expansion of the cosine potential.1. though approximate..3. (17. quite apart from applications.3 we call this difference 26E„n.A_(g0) ^ . W.17. 17. minus sign). plus sign) give the so-called level splitting AA(go) as a consequence of tunneling indicated schematically in Fig. and that for the odd Mathieu functions se qo+ i and se9o (lower.61). i. *In Sec. B.e. We see here that *R.

in effect.370 CHAPTER 17. Example 17. _3/+(z) + ____2/_(z). results from the imposition of boundary conditions. In fact the perturbation theory developed in this context and tested by application to the cosine potential is of such generality that the recurrence relation of the coefficients of the eigenvalue expansion can be looked at as a difference equation. The exponential factor represents.74b). yA{z) = Aq(z)e2hsin '. 17. From Eq.§ The boundary conditions we imposed here are those of a self-adjoint problem which has real eigenvalues. .63) — and using only the leading terms — derive the following set of equations with shifted arguments similar to those of the small-/i 2 case of Sec. We begin with the solution containing the function A(z). (17. . The explicit derivation of the level splitting (17. The associated or modified Mathieu equation with cosh z instead of cos z is another important equation which we shall study in detail in Chapter 19 in connection with a singular potential. the Schrodinger equation with the cosine potential is a special case of several other more general cases. ^ ± n ) = _ ( _ 1 ) T i(<JTl) A 9 ( 2 ) (the extra minus sign in the second equation coming from Aq(z ± 2-7r) = — Aq(z)). The splitting can also be obtained with some methods of large order of perturbation theory. which one can then try to solve in order to obtain the behaviour of the coefficients of the late terms of the expansion. Thus we do not reproduce every step. and one can compare the methods. y^{z) = Aq(z)e~2hsin *.2.32) we obtain Aq(z ± TT) = (-l)±i<-9^'Aq(z). the exponential factor we encountered in the semiclassical method where it has the structure of the factor exp(classical action/ft). y+(0) 2/_(0) Solution: The derivation requires a cumbersome tracking of minus signs. Then we obtain first y±(z) = yA(z)±y^(z). The splitting can also be derived by the pathintegral method as will be shown in Chapter 26. Periodic Potentials this nonperturbative effect. As mentioned at the beginning. M±TT) .6: Translation of Solutions For the large-h 2 even and odd solutions (17. T y'_(0) y'A±*) y-{z). (17. evident through the exponential factor exp(—4/i) in Eq.74b) is also important for various other reasons.2: y+(±ir) J4(±TT) y+{z±n) y-(z±7r) = = ± —y+(z)± 2/+(0) . We shall not consider these in detail here but do consider briefly the elliptic potential in the next section without going into extensive calculations which can be looked up in the literature. We consider for simplicity only the dominant contributions and replace throughout —1 to some power by exp(i7r) to that power and combine such terms into cosines and sines. Naturally one expects the solutions there to be related to those of the periodic case considered here.

but also to enable a brief familiarization with the Lame equation. and y+(z = ±TT) = V2(q . (-l^ifr^i^O + C-l^ifo^j/aCO cos | . y+(0)~2V2.• Then y'+ (0) = 0.%/2(g . Finally for the derivative of the odd solution we obtain y'_{ir) = K ( T T ) . since A q (0) = \/2 = Aq(0): y+(±n) = ±isin|^(9=Fl)J3/+(0).1 ) | .c o s | ~(<1 T 1) f y .y-V+\z^ = -[j/+(0)] 2 (<? .3 The Ellipsoidal Potential Replacing VA..2hAq(n)] .4 17.Ah) ~ 32ft. Replacing sines and cosines by the functional expressions.4ft. From the equations for the sine and cosine we can deduce the value of the Wronskian at z = n in the leading approximation for large ft: W[y+.1 Elliptic and Ellipsoidal Potentials Introduction Our intention here is partly to deal with other periodic potentials. Similarly we find y-(z±ir) = = and by putting z = 0: V. we obtain — with Aq{z + 7r) = (-1)^ ^ 2 A .( 2 ) .( ± 7 r ) = c ° s | . y'_ (0) = \/2(4h . (17. A ?q( Z = ±TT) = .q). Aq(z) The derivatives can be handled with the help of Eq.) cos < -7r(q 1) [ = . A' (z = ±ir) = --(.4.z ) . = ±ir).4ft) cos i -TT(<J + 1 ) 1 .7 r ( q = F l ) } j / .4ft) sin j ^n(q .7 r ( g ^ l ) U + ( z ) q : i s i n { .( z ) From this we deduce for z = 0.VA DV 371 1 V±.y-]z=„ = [y+yL .4ft) ~ -8(q . we obtain the conditions stated at the beginning. where Aq(0) = Aq(0) = V2.T ( ? =F 1) p + (0).17. — j / + ( 2 ± 7 r ) = ± i s i n | ^ ( g = F l ) U + ( z ) . ( .31). the operator having solution Thus ^ ( 0 ) = -(q/2)Aq(0) = -A~'q(0) and A'q(z = ±TT) = ~qAq(z -qAq(z = ±7r). etc.g A ? ( z = ±TT). The Lame equation has not been a widely known equation of mathematical physics so . 17. which is easiest by comparison with the foregoing treatment of the Mathieu equation.[A'qM + 2hAq(n)] = iV2(q .

The most conspicuous difference compared with the Mathieu equation is.5 The potential sn2(z.. (17. 194) remarks to parallels with the Mathieu equation:".* and the work of both prepared the ground for present-day investigations. But more recently it has been observed to arise in various contexts. *A.0. Liang. § F . f E . the non-occurrence of the Floquet exponent..0. Arscott [11] (p. k) for k = 0. however.1. for general n the solution of Lame's equation is not single-valued owing to the singularities in the finite part of the u-plane. J. Muller-Kirsten and D. soon encounters grave difficulties and there has not been developed up till now any general theory of Lame's equation at all comparable with that of the Mathieu equation .fi2A.5.-Q. 194) remarks. as alluded to at the beginning.. the new stage of the development of the investigation of the Lame equation was really initiated by Ince^ around 1940. If one separates the wave equation § V 2 * + J2* = 0 in ellipsoidal coordinates (which we do not need to consider here).5 < z < 5.. Tchrakian [165]). and was continued by Erdelyi. one arrives at three equations of which one is the ellipsoidal wave equation pt + [A .75. 17. Ince [138]. M.4sn4u]y = 0. inverted double well and cosine potentials (J.* As Arscott [11] (p. Erdelyi [85]. Arscott [11].0.98. but also cubic potentials.372 CHAPTER 17.K2sn2u .0 and . W. H. In particular the Lame equation was recognized to arise as the equation of small fluctuations about instanton solutions for practically all basic potentials. so that Floquet's theorem cannot be immediately applied . L. This line of investigation. Periodic Potentials far. . H." Fig..75) ' T h i s means double well. p... 19.

78) We follow in this brief recapitulation the description in H. in front of the second derivative has to be kept in mind (mo being the mass). W. .K) = qK+^±.77) where q —> go = 2iV + 1. the equation ^ | + [A . i. In order to distinguish the above equation from that with the Lame potential. where n is real and > —1/2 (and n is an integer in the case of solutions called Lame polynomials) where k.\k\ < 1. (17. Although the results have been calculated for the ellipsoidal wave equation.5 for several values of fc. is the elliptic modulus of the Jacobian elliptic functions snu. The range of the independent variable u is 0 < u < 2K.17. in the case n2 — oo. . J. 2 . 17. the usual factor —h2/2mo. If we put fl = 0.3 The Ellipsoidal Potential 373 Here K2 and A are separation constants and U2 = l2(a2 — c2). i. we refer to the potential consisting of the two terms with sn 2 n and sn 4 n as the ellipsoidal potential.4.76) which can be looked at as a Schrodinger equation with periodic potential K2sn2u where snu is one of the Jacobian elliptic functions of period 2K.77) into Eq. (17.2k. for very > high barriers (harmonic oscillator approximation around a minimum of the potential).e. (17. N = 0. (17. Jian-zu Zhang and Yunbo Zhang [206]. For barriers of finite height the parameter q is only approximately an odd integer qo in view of tunneling effects.2 Solutions and eigenvalues In the following we sketch the main points of the method of deriving asymptotic expansions of the eigenvalues and eigenfunctions.75) reduces to Lame's equation and one writes K.K2sx?u}y = 0. Miiller-Kirsten.a > b > c being related to the lengths of the three axes of the ellipsoid in a Cartesian coordinate system. and of the derivation of the level splitting'. we consider mainly the Lame equation.e. The first step is to write the eigenvalue A as A(q.1. 17. The function sn2u is plotted in Fig. . . In comparisons with the Schrodinger equation. cmx and dnu. The second step is to insert (17. Eq.76) and to write the solution y = A(«)exp | f Ksnudul = A(u)[f{u)]K.2 = n(n + l)k2. K being the complete elliptic integral of the first kind. (17.

B and C. C replacing yl. / -z J . i. A(u.82 . (17. Thus in the third step two more pairs of solutions B. but solutions B. the other in terms of those of an imaginary variable. k' = Vl~ k\ \dmi±cnu/ 17. i.e.q.Es(ii). ^ (17.79) The very useful property of these solutions is that for the same value of A (which remains unchanged under the combined replacements q —>• —q. \/8K (dmz = cn« \ ' F . one pair in terms of Hermite functions of a real variable.81) Since these expansions are not valid at the extrema of the potential (where the boundary conditions are to be imposed). (17. A. . determine their proportionality factors) in domains of overlap (their extreme regions of validity). one obtains again the same expansion for A. . (17. dnu± cnu K Thus one can construct solutions Ec(u).K — > A(u)=A(u + 2K). C which are valid for dnu±cnu <1. A are derived.K)=A(u. A into equations in terms of the variables z(u) = ^—{k' .-q.-K). Periodic Potentials .e. A second solution is written y = A(u) exp < / nsnudu >.77).e. /dnu + kcnu\ \ dnu — kcnu J For large values of K the equation for A(u) can be solved iteratively resulting in an asymptotic expansion for A(u) and concurrently one for the remainder in Eq.374 where CHAPTER 17. which are respectively even in u (or snu) or odd. ll^ ^A(u)[f(u)]^k±A(u)[f(u)}-^k. more precisly for dnu = cnu F 1 » -. dnu =F cnu . one has to derive new sets of solutions there and match these to the former (i.80) The domain of validity of these solutions is that away from an extremum of the potential. by transforming the equations for A. _ Solving the resulting equations iteratively as before..

3 The Ellipsoidal Potential 375 In their regions of overlap one can determine the proportionality factors a. (17.17. 64. This expansion is found to be in the more general case of Eq. 17. W.384n2k4(q2 + 1)} q r {(l + A.3 T h e level splitting In the fourth and final step one applies the appropriate boundary conditions on these solutions. i.^ ^ { ( 1 + k2)5(63q6 + 1260g4 +2943g2 + 486) -8k2{l + k2)3(49q6 + 1010g4 + 1493g2 + 432) +16fc4(l + fc2)(35g6 + 760g4 + 2043g2 + 378) -64fi 2 fc 4 (l + fc2)2(5g4 + 34g2 + 9) + 256f22£. (17. . p. (17. who obtained this expansion for the eigenvalues of Lame's equation (i.e. £2 = 0). Es(2f0 = Es(0) = 0. *A." A = qK-±(l 1 + r {(l k2)(q2 + l)-^-{(l + ifc2)3(5g4 + 3 V + 9) + k2)2(q2 + 3)-4k2(q2 + 5)} 2WK2 -Ak2{l + k2)(5qA + Uq2 + 9) . W.38g2 .4. C = a~A.63)} + ••• . F.2)4(33g4 + 410g2 + 405) -24/c 2 (l + k2)2(7q4 + 90q2 + 95) + 16fc4(994 + 130g2 + 173) +512f22fc4(l + k2)(q2 + 11)} . Tricomi [87]. Erdelyi.75).83) Then Ec(ti) Es(it) KB[fM^(u)r/2fc±C{zH] a uy n a n S/Ms Each of the solutions thus derived is associated with one and the same expansion of the eigenvalue A.e. Magnus. the ellipsoidal equation. G.85) The first three terms of this expansion were first given by Ince [138]. J.6(5g4 .86) \duj0 o h r 2K > \duJ =[-sr 0 =0\duj (17-87) H. Oberhettinger and F. as well as \duJ2K 11 (17. one sets at it = 0 and u = IK altogether** Ec(2A") = Ec(0) = 0. a of _ _ B = aA. Miiller [205].

136g0 + 9) n 3. Periodic Potentials These conditions define respectively functions EcX°.i Here the upper sign refers to Ec*> l or Ec£°.88g0 .go)« qo(l + k2 22K {3(1 + k2)2(q2 + 1) .376 CHAPTER 17. Evaluating these one obtains (from factors of factorials in q and —q) expressions cot{-7r(g — l)/4} = • • • and tan{7r(g — l)/4} = • • • (in much the same way as in the case of Mathieu functions).g 0 ) ( ^ . J. One obtains with go an odd integer Q-Qo =F2 2fl + ir\l-kj 3(g02 k\-K/k 8K qo/2 \l-k ) 2 1 [i(g0-l)]!L + l)(l + fc2) 25 K ^ 2 J J . Muller [205]. + fc )(3g + 8g0 + 3) k2)2(9q% + 8g^ . W.1 / 2 (2TT) 1 /22« l + (l_fe)^«( i .4k2(q2 + 2g0 + 5)} + • • • ]. 2K.2 n K 2 {3(1 + 1 +128fc2(2g^ + 9ql + 10g0 + 15)} For the two lowest levels go = 1 and one obtains for their separation AA(1) 2(4^) 3 / 2 (l-fc)*. One finds^ A(?) A(g0) T :(l 2K 2 2 fl + k 7T V 1 — k 2 -njk 8K -k 2 yo/2 I 1 Hqo-m 25.87) (17.91) tt H.g0 is obtained by expansion around zeros. . (17.l n 2^+ i J + 0(«-i) (17. and the lower to Es*>+1 or Es*5. Finally expanding A(g) ~ A(g0) + ( g .Ec£ 0_1 and Es2° of periods 4K. go being an odd integer.78g^ . from which the difference q .90) + 3.89) one obtains the eigenvalues from which the level splitting can be deduced.:J {3(1 + k2)2 (9q* .Es^ 0+1 . 2K and 4K respectively.40g03 + 18g02 .2 /c +256fc2g0(g2 + 5)} (17.j 26K2 (1 85) = A(g0) + (q .

then snit — sin u and Lame's equation (f2 = 0) becomes > y" + {A . W. A = 0. One can see.4.* M G . (17. this equation becomes y" + {A . however. that calculations with the Schrodinger equation are not only easier. K2 = h2 (say).4 h ( i e M 9 0 7 2 \. L. K = 2/i.2h2 cos 2x}y = 0.3 The Ellipsoidal Potential 377 This result agrees with a result of Dunne and Rao** who calculated this expression using instanton methods. Ince [138].* Apart from the choice of notation. in which they dubbed the classical configurations Lame instantons.J1 O. i.87) agree with those of Ince. Rao [79]. + E.17.93) (17. Miiller [206]. V. Dunne and K. . (17. the conditions (17. .t One can verify that under the conditions stated the results of this case of the ellipsoidal wave equation reduce to the corresponding results of the Mathieu equation.90) one has in this limit: /l±±\ ~K/U = e .74a). Replacing u by x ± IT/2.2h2 = A. but also more easily generalizable. *H.f ln[(l + fc)/(l-fc)] _ e -4h) ( 8" \ ^^ __ (16h)«.e. Without going into details we mention again (as at the beginning) that there is also a specialization from the ellipsoidal wave equation and its solutions to spheroidal wave equations and their solutions. A . it = x ± ^ . Thus if k — 0 and n —> oo in such a way that > K2 = n(n + l)k2 ~ finite. 17. J. h .92) reduce the periodic ellipsoidal wave functions and their eigenvalues to corresponding Mathieu functions and their eigenvalues.4 Reduction to Mathieu functions Under certain limiting conditions the ellipsoidal wave equation reduces to the Mathieu equation. A(g)->A(g0)T4/i\/-e ^ [Hqo ~ !)]•' in agreement with Eq. (17. (17./2i and hence A^ A/ A AU I2 . Thus in the case of the dominant contribution of Eq.Ah2 sin2 u}y = 0. Hence the conditions fi = 0.2h2 .86).

Gu and S. W. A. A host of related elliptic equations has recently been discovered and studied. See Chapter 25.§ This is therefore a very important equation which in the limit of infinite period becomes a Poschl-Teller equation.** The associated Mathieu equation appears also in string theory in connection with fluctuations about a L>3-brane (see Chapter 19). A generalized associated Lame potential has been considered by A.^ The equations considered above also appear in diverse new problems of physics. all basic potentials. in the problem of two parallel solenoids the lines of constant electromagnetic vector potential | A| are elliptic with the Hamiltonian separating into a Mathieu equation and an associated Mathieu equation. Miiller-Kirsten and D. Shiraishi [49]. Rana [287].Q .g. H. H. J. J. double well.378 CHAPTER 17. M. Cho. Tchrakian [165]. A. D. Liang. Quian [123]. Ouvry [276] and Jian-zu Zhang. Kan and K. de Veigy and S. N. In particular we shall encounter the Lame equation as the equation of small fluctuations around classical configurations associated with cosine. This is an interesting problem. J . Periodic Potentials 17.e.-Y. i. . inverted double well and cubic potentials. also because the role played by the Floquet exponent in this problem is not yet well understood Jl Another recent appearance of the Mathieu equation is in the study of the mass spectrum of a scalar field in a world with latticized and circular continuum space. for instance. W. H. Thus. 1 1 See Z. Miiller-Kirsten and J. See e. Sukhatme [148].-W. Khare and U. § . Ganguly [103].5 Concluding Remarks The potentials we considered above will re-appear in later chapters. **Y. thus revealing an unexpected significance of this not so wellknown equation of mathematical physics. S.

both of which make the calculation more difficult. This lack of popularity of the calculation of complex eigenvalues even in texts on quantum mechanics may be attributed to the necessity of matching of various branches of eigenfunctions in domains of overlap and to the necessary imposition of suitable boundary conditions. The recent work of R. J. There is no end to this: An entirely new approach to anharmonic oscillators was recently developed by M. D. M. In particular the investigations of Bender and Wu.. T. Turbiner [273] remarks: "It can not be an exaggeration to say that after the seminal papers by C. [19]. f C . Lee [98] referred to it as a "long standing difficult problem of a quartic potential with symmetric minimd'1. W. ' T h u s A. Bender and T. Miiller-Kirsten and A.Chapter 18 Anharmonic Oscillator Potentials 18. Miiller-Kirsten [163]. In the cases treated most frequently in the literature the anharmonic *We follow here largely P. 379 . This seemingly simple problem revealed extremely rich internal structure .-Q. H.". W. Priedberg and T. Bender and T. J. Wiedemann [4] and a revised version of parts of this reference by J. T. Achuthan.1 Introductory Remarks The anharmonic (quartic) oscillator* has repeatedly been the subject of detailed investigations related to perturbation theory.. Weinstein [281]. demonstrates that derivations of such a quantity are much less familiar than calculations of discrete bound state eigenenergies in quantum mechanical problems.t which related analyticity considerations to perturbation theory and hence to the large order behaviour of the eigenvalue expansion attracted widespread interest. Wu [18]. Liang and H. in nearly a thousand of physics articles the problem of the anharmonic oscillator was touched in one way or another.* The fact that a main part of their work was concerned with the calculation of the imaginary part of the eigenenergy in the non-selfadjoint case which permits tunneling. Wu.

(3) Complex eigenvalues with tunneling: In this case. 18. These contributions may be given different signs. Case (1) is obviously the simplest with the anharmonic term implying simply a shift of the discrete harmonic oscillator eigenvalues with similarly . with the potential described as an inverted double well potential. V(z) = -\\h*\z* + \\<?\z*. *~z (1) (2) (3) Fig. The three different cases are: (1) Discrete eigenvalues with no tunneling: In this case V{z) = \\h'\z* + \\<?\z\ (2) Discrete eigenvalues with tunneling: In this case. described as the case of the double well potential.1. 18. and thus lead to very different physical situations.1 The three different types of anharmonic potentials.380 CHAPTER 18. V(z) = \\h*\z2 I 2i 4 \cr\z . which are nonetheless linked as a consequence of their common origin which is for all one and the same basic differential equation. Anharmonic Oscillator Potentials oscillator potential is defined by the sum of an harmonic oscillator potential and a quartic contribution. To avoid confusion we specify first the potential V(z) in the Schrodinger equation dz2 + [E-V(z)]y(z) =0 for the different cases which are possible and illustrate these in Fig.

The imaginary part will be rederived from path integrals in Chapter 26. except for a change of sign of |c 2 |. In the case of the double well potential our aim is to obtain the separation of harmonic oscillator eigenvalues as a result of tunneling between the two wells. Case (3) is seen to be very different from the first two cases. however with decay as a consequence of tunneling. We do not dwell on Case (1) since this is effectively included in the first part of Case (3). Since these exponentially small contributions are related to the behaviour of the late terms of the eigenvalue expansions (as we shall see in Chapter 20). (18. Case (2) is also seen to allow only discrete eigenvalues (the potential rising to infinity on either side). and this behaviour is that of asymptotic expansions our treatment largely terminates this much-discussed topic. since the potential decreases without limit on either side of the centre. The result is an expansion in descending powers of h?. The boundary conditions are non-selfadjoint and hence the eigenvalues are complex. The eigenvalues of this case are given by Eq. it will not be possible to obtain the exponentially small contributions with convergent expansions.1 Introductory Remarks 381 normalisable wave functions. Calculations of complex eigenvalues (imaginary parts of eigenenergies) are rare in texts on quantum mechanics. It is this expansion which led to a large number of investigations culminating (so to speak) in the work of Bender and Wu who established the asymptotic nature of the expansion. that the general applicability of the method becomes evident. The shift of the eigenvalues is best calculated with straightforward perturbation theory. i. .175) below. This type of potential allows tunneling through the barriers and hence a passage out to infinity so that a current can be defined. If the barriers are sufficiently high we expect the states in the trough to approximate those of an harmonic oscillator. (18. The question is therefore: How does one calculate the eigenvalues in these cases from the differential equation? This is the question we address in this chapter.18.86) below. however the central hump with troughs on either side permits tunneling and hence (if the hump is sufficiently high) a splitting of the asymptotically degenerate eigenvalues in the wells on either side which vanishes in the limit of an infinitely high central hump. and we present a fairly complete treatment of the case of large values of h2 along lines parallel to those in our treatment of the cosine potential in Chapter 17. We therefore consider in this chapter and in Chapter 20 in detail some prominent examples and in such a way. as is sometimes hoped. The level splitting will be rederived from path integrals in Chapter 26.e. Thus we are mainly concerned with the double well potential and its inverted form. We begin with the latter. In this case our aim is to obtain the aforementioned complex eigenvalue. The eigenvalues of this case are given by Eq.

If suffixes 1/2.1 refer to the two cases.z Fig.1 The Inverted Double Well Potential Defining the problem We consider the case of the inverted double well potential depicted as Case (3) in Fig. Anharmonic Oscillator Potentials 18.3) "1/2 harmonic oscillator h8/25c2 . a point which has to be kept in mind in comparisons. v(z) = -^h4z2 + ^c2z\ (18. 18.1) for h4 and c 2 real and positive. We take here h = 1 and the mass rriQ of the particle = 1/2.2 18. . 18. h 4 2 2h1> ~1/2 2c?. The potential in this case is given by V{z) = -v(z). (18. 18. we can pass from one case to the other by making the replacements: 4 E1/2 = 2Ei. (18.1 and more specifically in Fig.382 CHAPTER 18.2) We adopt the following conventions which it is essential to state in order to assist comparison with other literature.2 The inverted double well potential with (hatched) oscillator potential. and the Schrodinger equation to be considered is C L^ + [E + v(z)]y = 0.2.2. This implies t h a t results for THQ = 1 (a frequent convention in field theory considerations) differ from those obtained here by factors of 2 1 / / 2 .

/i).2. i. to match these in domains of overlap.-1-/7 - Vg(w)y(w) = o(J^j.1. (18. 18. The problem here is to obtain the solutions in various domains of the variable.e.. (18.2.7b) The perturbation expansion in descending powers of h suggested by the above considerations is therefore an expansion around the central minimum of V(z) at z = 0.. The positions z± of the maxima of V(z) on either side of z = 0 in the case c2 > 0 are obtained from h2 v'(z±) = 0 as z± = ± — with (18.8) h8 v"{z±) = h and V(z±) = 5 2 2 c ' 2 2 Thus for c > 0 and relatively small.4) we can rewrite Eq. The result will be that derived originally by Bender and Wu. although our method of matched asymptotic expansions here (which parallels that used in the case of the cosine potential) is different. 4 . (18. y{w) oc Di...2 The Inverted Double Well Potential 383 Introducing a parameter q and a quantity A = A(qr. _i\(w) and q = qo = 2n + l. (18.7a) The problem then reduces to that of the pure harmonic oscillator with y(w) a parabolic cylinder function Dn(w).2) as Vq(u >)y(w) = with T)Jin\ 1 (A + c2w )y(w 0 (18. and h large the eigenvalues are essentially perturbatively shifted eigenvalues of the harmonic oscillator as is evident from Fig. \h?\ — oo and c finite.18.5) becomes . (18.d2 . n = 0. the harmonic part of the > potential dominates over the quartic contribution and Eq. and a variable w defined by setting E= -b* 1 + A A and w = hz. then to specify the necessary boundary conditions and finally to exploit the latter for the derivation of the complex eigenvalue.5) (18 6) "^'-"dw* ' * 2' 2 In the domain of w finite.

these solutions are not valid around z = 0.11) y(z) = A(z)exp ± z dz h4z2 4 + E hAz2 + cV y(z) = 0 (18.13) — that one equation (of the two alternatives) follows from the other by changing the sign of z throughout. Before we return to solutions we derive a new pair which is valid in the adjoining domains.13) + 2qh u2 A + W A{z) Later we will be interested in the construction of wave functions which are even or odd around z = 0. h) is obtained from the perturbation expansion of the eigenvalue. We observe — before touching the square roots in Eq. y 4 2/i Here again q is a parameter still to 2 determined from boundary conditions.11) V = 0+ dz2 + 2qh + W The solutions in terms of parabolic cylinder functions are valid around and extend up to z ~ 0 ( l / / i 2 ) .10) into (18. This observation allows us to define the pair of solutions yA(z) = . (18.| 1 d r A!{z)±iA{z)±{ 0. This construction is simplified by the consideration of symmetry properties of our solutions which arise at this point. (18. as we shall see.2.14b) .2 A (18.12) Then A(z) is found to satisfy the following equation r /iV c V V/2 A"(z)±2<|-^. Inserting (18. be and A = A(q. In order to arrive at solutions we set in Eq.14a) 1/2- VA( ) = A(z)exp (18.) exp Z ifdz[ifdz[- h4z2 4 h"z2 + + cV cV 1/2' (18.+ ^ . •A~2 hrz" 2^-\ c^z V2 —— + (18.4(2.2 We are concerned with the equation d2y(z dz2 where ^ 1 .9) z =0 these Thus these c2z4 1/2 + • 2 (18.9) we obtain 1 h4z2 c2z4 A L2 (18.10) E= -qh2 ^ j. as encountered and explained earlier.384 CHAPTER 18. Anharmonic Oscillator Potentials T h r e e pairs of solutions 18.

18.20b) . One finds that these solutions are associated with the same asymptotic expansion for A and hence E (given by Eq. 1 2 4 2 Aq(z) + 0 (18. We take the square root by setting z2h^1/2 +.34) below) — to be derived in detail in Example 18.15) where A{z) is the solution of the upper of Eqs. 1 (18. (18. (18.17) Aq(z) 1(9-1) Z2 (Z )V4 exp 2 We define correspondingly w dz (z2)l/2 (18. (18.e.19) We see that one solution follows from the other by replacing z by — z. / -c z Aq{z)+0 1/2 .Aq(z) approximate the solutions of Eqs. /-H 4 Z h +~C Z 21. Clearly Aq(z). we do not pursue their calculation.13) and we can develop a perturbation theory along the lines of our method as employed in the case of periodic potentials.13) TzA'(z) T ^A(z) + -qA{z) = O We define Aq{z) as the solution of the equation zA'(z)--(q-l)Aq(z)=0.zh2 =(-)*-2"(18.4 .16) For large h2 we can write the Eqs.20a) These expansions are valid as decreasing asymptotic expansions in the domain \z\ >0 h..13) and A(z) that of the lower of these equations.18) M*) z-f(9+l) A_ g (s) = (^2)1/4 exp ?/" dz (z ) / 2 1 2 (18. 385 (18. (18. Since these higher order contributions are of little interest for our present considerations. Thus we now have the pair of solutions yA(z) = exp yA(z) = exp dz I^4 + l„2„4 1/2-.2 The Inverted Double Well Potential with A(z) = A{-z) and yA(z) = yA(-z). (18.1 and as a verification again in connection with the solution y# — as the other solutions. i.

• Using Eqs. 1 .e. (18.21) Example 18.20a) and (18. h2.13) in the following form with power expansion of the square root quantities and division by h2: 1 + -(q . c*i = 1 1 . h2 —> —h2). As always in the In this way Rq is expressed as a linear combination of functions Aq+4i(z).e.386 CHAPTER 18. i.v ' = o (« .1: Calculation of eigenvalues along with solutions of type A Use the solutions of type A. one observes that with £>. (18. we write > V±(z) = . X » / A q + 4 i = Mg+4i- . A = . 128 8 16 A = i.:=-*£ +i(5-l)..^A(z) °° /1r2z2\i + J2 { -fir ) \**A'(*) 1 + jA^Wl.20b) to construct solutions y±{z) which are respectively even and odd under the parity transformation z —> — z (or equivalently q —• —q.[yA(q. „f 1 \ S o l u t i o n : We rewrite the upper of Eqs. 2 . z) ± yA(q. (18.18) we obtain A » = H^-r-L^z) 2 z . (18.e.. 04 = 5 . A A _ 3 .1) 2 2 2 A?(Z) " ^^^^^ = liq~ 1){q ~ VA"-^- The lowest order solution A^ 0 ' = Aq (z) therefore leaves uncompensated on the right hand side of the equation for A the terms amounting to i ^ / 2r2z2 2z\ y 1 °° (2c 2 l i=3 Clearly one now uses the relation z2iAq{z) = Aq+ii(z). h2. Anharmonic Oscillator Potentials i.. away from the central minimum. (18. 03 = . * = — .2 ( * ) 2 and from this or separately A"(Z) : 1 (q . z)).20a).2 . ft = . „ . -zA'(z) where the expansion coefficients are given by ao = l. i.! ) ^ . Vq+ii = Vq + 2i..l)A(z) 1 = -tfA"(z) A .17) and (18. procedure. to obtain in leading order the eigenvalues E.20b). W i t h proper care in selecting signs of square roots we can use the solutions (18. a2 = 2 1 .f . .| .

We return to Eq. when i = 0. (18. 2ft4 + e)Av -—rAq+i q+8 6 2/i + ---\+- The sum of terms with Aq in Rq are calculating here „2 must then be set equal to zero.w — > > ±iw) or functions R B w q( ) . w = hz. Rq '. of course.| c V + It follows that l) + 0 (i The same result is obtained below in connection with the solution of type B. _1J±w) and D_\. +1J±iw) (observe that Eq.. (18. (18. In this way we obtain the next order contribution A^-1' to A^°>..Aq+4i in Rq 387 can be taken care of by adding to A(°> the contribution — _ ^ 4 ' except. [-1(9 + 1)]! . In the next two pairs of solutions the exponential factor of the above solutions of type A is contained in the parabolic cylinder functions (which are effectively exponentials times Hermite functions). = -•>— r.e.23) . give an equation from which A is determined..2 The Inverted Double Well Potential Thus a term /j.22) is invariant under the combined substitutions q — —q.22) are parabolic cylinder functions D i . The solutions yq(z) of the equation Vq(w)yq(w) = 0. r ( CJw) = ^ . and the coefficient of terms with i = 0.5). Hence to the order we 0: {^)^) [{ 1){ 2 ^ ^ ^-3)-^ 0 +1 ^ + 2^ + 3)]+0 {h) 2ft6' A = -24 1 2 ^ + 1>-2^+°G9A= . those in Aq(z)..'2H9-i) ^fa-Dfr™) and .(q + 3)(q + l)Aqv--ri(q '^ ' . i.—77 [i(9-l)].18. ^-f( g + i)(±H2^ + 1 > \ — 1. Hence in the present case In its turn A^ leaves uncompensated terms amounting to A „ /2c 2 \ 2 9 „ M 2ft4 -2 { 4/i2^ . (18.

(18. Erdelyi. W.0) = = = ±(q±3)(q±7). Actually these factors can also be extracted from W K B solutions for large values of q. Magnus.29) ' A . since Vqyq = 0.^ For higher even powers of w we write i w2l V<i = Y.l)2/?-4. l(q2 + l). Oberhettinger and F.123. and for j ± 0 : [q.23) have been inserted to make this recurrence relation assume this particularly symmetric and appealing form. See Example 18. As an alternative to Bq(w) in Eq. we also have Vq+^yq+tj = 0.388 CHAPTER 18. . Anharmonic Oscillator Potentials The solutions Bq satisfy the following recurrence relation (obtained from the basic recurrence relation for parabolic cylinder functions given in the literature^) w2yq= -{q + 3)y g+4 + qyq + -(q .q}=A + c2S4(q. 115 . j=-i (18.q + 4j] = c2SA{q. (18.( < ? . (18. Comparison with our notation is easier if this reference is used. Tricomi [86].±4) S4(9. (18. (18.0).3. and so Vqyq+Aj(w) = -Ajyq+Aj(w).25) where in the case i = 2: SA{q.3)y g _ 4 .4j)yq+Aj. F.23) one can choose the solutions as Bq(w) with B QM = ~ 77[|(9-3)]!24(9-1) These satisfy the recurrence relation w2yq{w) = -(q+l)yq+4 + qyq + .28) (A + c w )yq(w) E 2 4 1 - 2 ^ [q.±8) 5 4 (g. G.27) Now. pp.q + 4j}yq+4j.26) The first approximation y(w) = y(°>(w) = yq(w) = Bq(w) therefore leaves uncompensated terms amounting to 1 4°) = where [q.Aj)(18. (q±2)(q±S). (18.24) The extra factors in Eq. Vq+4j = Vq + 4j. S2i(q.

10) we obtain E(q. . (18. i. and even powers of q in combination with even powers of 1/h2.^ g ( 4 g + 29) + O(^ 2 1 2 Qr2 2 4 2 / 1 \ J. (18. ( 18 . (18.35 ) .e.3 °) For the sum y{w) = y(°)(«.32) Evaluating this expansion and inserting the result for A into Eq.31) Proceeding in this way we obtain the solution y = yW („.• -q.—A(q + 1) . A = -^(q2 + l)c 2 + o(J^. In Case (3) the parameter q is only approximately an odd integer in view of tunneling. (18. p i(9»9 + 4 J'WK7».27) can be removed by adding to T/°) the contribution (—^/4j)y<j+4j. i. h2 —> -h2. This type of invariance is a property of a very large class of eigenvalue problems. so that the entire expansion is invariant under the interchanges q . 2 . . n — 0.1.—v*+*j- ( 18 . . and |c 2 | replaced by — |c 2 |. We can now write the solution y(w) in the form y{w)=yq{w) + Y.) + j/ 2 ) (W) + • • • with the corresponding equation from which A can be obtained.18. h ) = -qh . (18. Thus the next order contribution to yq is y H = ie 2^ —z.q]=0.34) We observe that odd powers of q arise in combination with odd powers of 1/h2.) -t-y^^w) to be a solution to that order we must also have to that order [q.e.(!) («.) + j.2 The Inverted Double Well Potential 389 Hence a term (iyq+4j on the right hand side of Eq.34) is the expansion of the eigenenergies E of Case (1) with q — qo = In + 1. Equation (18.[-rp ) Y.

)]arg2=0- These solutions are suitable in the sense of decreasing asymptotic expansions in the domains They are linearly independent there as long as q is not an integer. Achuthan. / l \ 1i i( ) + J2 ( ^e ) J2 P ^q + 4j)Bq+lj{w) iu=/iz. q + At] (18.36) with the boundary conditions p o(q.e. q + 4j) = 0. q + tt)= J2 i=-2 p i-l(?> Q + ±3 + 4*)[q + 4j + 4t. ^VO(<L<?) ^i(?. (18. > "p.argz=0 (18. there is another solution y(—z). their recurrence relations and the solutions of the latter we refer to the literature. 2 4tPi{q. 5 + 4j) = 0 for \j\ > 2% or \j\ > 2i + 1.37) For further details concerning these coefficients.q±A) = MM!i±MM+[M±8][g±8. W.—. and for j ^ 0 all other P0(q. Wiedemann [4] .11) is invariant under a change of sign of z. Miiller-Kirsten and A. q) = = 1.g±4] ±4 ±4 [g. We observed earlier that these are obtained by making the replacements q —> —q. Our third pair of solutions is obtained from the parabolic cylinder functions of complex argument. J. ? T 4 ] [ g T 4 . Again we can write down a recurrence relation for the coefficients Pi{Q. Anharmonic Oscillator Potentials ±4 ±4 ±8 ±4 P2{q.38) [yB(z)]argz=7T = [?/s(-2. i. o.i 1 + 4j) in complete analogy to other applications of the method. H.390 where for instance v J CHAPTER 18. w — ±iw." Since our starting equation (18. We thus have the following pair of solutions VB(Z) VB(Z) = B w . we may infer that given one solution y(z). g ± 4 ] T4 ±4 and so on.

5) are known in some mathematical literature as "stretching variables" and are there discussed in connection with matching principles. Thus in the transition region some become proportional.g. h2) in which odd powers of q are associated with odd powers of h?.h^ih. 18.** First we deal with the exponential factor 1/2- exp exp dz z z h* + -c z J2c z 2 2 . J.g. in fact. Vc(Z) = [V!B(Z)}q^~q. see e.40) "Variables like those we use here for expansion about the minimum of a potential (e. one has to stretch each by appropriate expansion to the limit of its domain of validity. 4 . (18. Mauss [192].h^ih 391 (18.q + 4j) as in ys. Integrating and expanding as follows since h? is assumed to be large. with normalization since the normalization constants are also asymptotic expansions.Vc suitable asymptotically decreasing expansions in one of the domains \z\ < O 7T argz We emphasize again that all three pairs of solutions are associated with the same expansion of the eigenvalue E(q. Aq(z)) does not appear in any of the higher order terms.2 The Inverted Double Well Potential These solutions are therefore defined by the following substitutions: VC(Z) = [yB(z)]q^-q. like w of Eqs.4)). the solutions of type A being valid away from the minimum. we obtain: exp 8c2 3 < 2cVl3/2 /i4 h2z2 „(zA exp 12c2 (18. (18.18.The solutions yc.2 _4 A } 2cVl1/2 h4 8c 2 1 in the solutions of type A which are not valid around z = 0. In order to be able to extract the proportionality factor between two solutions. h2 — — h2 as long as corrections » resulting from boundary conditions are ignored.2. In this bordering domain the adjoining branches of the overall solution then differ by a proportionality constant. Such contributions arise.z2 . so that the eigenvalue expansion remains unaffected by the interchanges q —> —q. .3 M a t c h i n g of solutions We saw that the solutions of types B and C are valid around the central minimum at \z\ = 0. We add parenthetically that all our solutions here are unnormalized as is clear from the fact that the function in the dominant term (e.39) are with the same coefficients Pi(q.g.

We do not require this at present.42) we obtain for the solution ys(z).45) .2)i (27T) 1 /2 e -f(9-l) 1 eb Uq + m (18.0-x ! [ £ ( g .2 « .42) H W2 (q-l)e-$W I „ .43) (since z — — 2 implies > argz = ±7r). (18.l ) ] ! ( . not around that point) VA(Z) VA{Z) = ehVl2c 2 e-\z*h* z^) + o(± z-fr+i)+o(±\\.7 r .44) In the solution y~g(z).4 i .w yB(z) ~ B. with z in ys(z) replaced by — z. The function Di.43) W + 1)]! w^+V A . 2 ^i![i(g-4i-l)]!(-2«.41) with the solution ys(z) of Eq. 41) The cases of the solutions of types B and C require a careful look at the parabolic cylinder functions since these differ in different regions of the argument of the variable z. e-h* /12c* e\z*h? (18.392 CHAPTER 18. 4/T 4 Prom (18. -^Jw) has a similarly complicated expansion for 1 5 — — > argw > . we would have to substitute correspondingly the expression (18. Thus from the literature [86] we obtain Di_{q_1){w) = w*{q-l)e-\w* but D W-i) ^=.-ir_I + M + 1)]! (2w*y U i\[~W • i 5 with -7r > argw.z). (18.(«.44) we see that in their common domain of validity yA(z) = ~yB{z) a (18. . > -n. (18.) ( ^2 „22)\ z £(</-!) -e 4re z 4 4 = hz: [i( 9 -l)]!24(«-D l+O h? (18. Comparing the solution VA{Z) of Eq.. 2 ) i ' ir! i iHi-m 1 3 j argw| < -7T. Anharmonic Oscillator Potentials Considering the pair of solutions ju(. y^(z) we see that in the direction of z = 0 (of course.

— For instance qo = 1 (or n = 0) implies a ground state wave function with the shape of a Gauss curve above z = 0. (18.47) yA(z) Comparing this behaviour of the solution yc(z) with that of solution of Eq.9.2 The Inverted Double Well Potential with a 2 (K ^ ( 9 . ^-^+i)Ah^ze* [_i( g + l)]!2-4(9+D Inserting the ex- l +O h2 (18.49) d yc{z) Again there is no such simple relation between yA(z) 18. we see that in their common domain of validity yA(z) where a = =Vc(z). Looking at the potential we are considering here — as depicted in Fig.21) as even and odd about z = 0. 18.50) and y+(0) ^ 0.4 B o u n d a r y c o n d i t i o n s at t h e origin (A) Formulation of the boundary conditions The more difficult part of the problem is to recognize the boundary conditions we have to impose.yc{z)pansion (18. We proceed similarly with the solutions yc(z).50) will be seen to imply qo = 2n + 1 = 1.42) into y~c(z) w e obtain Vc(z) = (-h*. hence we have to .e.48) (-h2y 4(«+i) [-i((? + l)]!2-4(^i) l +O /i2 an (18.18.2 — we see that near the origin the potential behaves like that of the harmonic oscillator in fact — our large-h 2 solutions require this for large h2.. Recalling the solutions y±{z) which we defined with Eq.y'_(0) ^ 0. and the second qo = 3. (18. the ratio of yA(z)iVB(z) i s n ° t a constant.11.5. Thus the boundary conditions to be imposed there are the same as in the case of the harmonic oscillator for alternately even and odd wave functions..1 ) e 12c 393 Kg-l)]^"1) l + O h? (18.46) However.41). i.7. (18. we see that at the origin we have to demand the conditions yV(0) = 0 and y_(0) = 0 (18. large probability for the particle to be found thereabouts.2.. At z = 0 the solutions of type A are invalid. The first of the conditions (18.

Example 18.53) yc(0) a' Clearly we now have to evaluate the solutions involved and their derivatives at the origin. + 1)]!' D ' j . = -= V^ >—= = — i i ^ i [1(9-3)]! ^_ sin{_(q + i)} (18. [ .u=o follow with the help of the "circuit relation" of parabolic cylinder functions given in the literature as (q r — ) Di(.(0) + ^ ( 0 ) l z—>0 2.55) Solution: Prom the literature.| ( 9 + 3)]! s i n { .g. y c ( 0 ) . M. we obtain i V7T24( g . one finds that [ 1 IT (q + 1)1! = -.-i)H = e.57) [i( 9 _l)] ! 2 i(9-i) B.52) # 1 = -^ y' c (0) a and 2/B(0) = a (18.|fc(0) Thus we obtain the equations (18."*(«-!) ^ ' ~ [ . . Expressions for C 9 (0).56) D 4(..(0) Cq(w) y' c (0) r^ Show that — with w = hz — the leading terms of the quantities listed are given by B n\\ia-m' 4(«Z + l)]l[i(8-l)]!' i\ -sin{-(q-3)}. Z (18.(0) (18. 1 [7(9-3)]! n «(°) = . We leave the detailed calculations to Example 18.) [i(«-l)]![-i(?+l)]! 2TT V5F[i(g-l)J! V (18.' '. with the reflection formula (—z)\{z — 1)! = IT/ simrz.54) dio q(w) .^{-(9+1)}.(0) = and hto-i)(°) ^—'-.! ( .2. IT 4 dio In fact.-l)(°) Thus with the help of the reflection formula cited above: D B.394 CHAPTER 18..58) diu [ | ( g . e. Anharmonic Oscillator Potentials use the proportionalities just derived in order to match these to the solutions valid around the origin.( g + 3)}.. Then imposing the above boundary conditions we obtain 0 = y'40) = limJ-[y'A(z)+y'A(z)] = i»i./o^Tp-if (q+i) .oi(. Abramowitz and I.5 ( 9 + !!)(-*"')• i ( 1) . [C. 4W >S [ I ( ( ? _ 3 ) ] ! s i n { f ( g + 1)} and hence =^= 1.(0) = .2: Evaluation of yB(0). y'B(0).( g + 3)}.1)(-'») + ^ r + l)]! ^.s i n { . A.(«..(iu)]. C.l ) ] ! [ . (18.i ) -.SxW) = \ i»fl(0) .F ? .i ( g + 3)]l (18.51) and 0 = V-(0) = Jim i|»xM . Stegun [1]. — C.

46). + i)]!2-i(«+ ) 1 [|(«-3)]! V5F[i(9-l)]! sin{-(q + l)}. + i)] V* H(?+l)]'[£(9-l)]l Similarly we obtain [°'-i(. _ l)]!2l(9-1)(-/J2)-|(9+D We rewrite the left hand side as 1 sin{f(g + 3)} r„. using the above reflection formula and the duplication formula ^/TT(2Z)\ = 22zz\(z .sin{^(g+ 1)} = J .56). (18.53) in dominant order and insert the appropriate expressions for a and a from Eqs. we obtain 2 i(»+i)[_i(. 7T 4 V 7T 4 (B) Evaluation of the boundary conditions We now evaluate Eqs.1/2)!.i . (18. W .i ( « + i ) [ _ i ( .)[i(g-3)]! and ^-i(. A __f7r \4 'J We rewrite the right hand side of the derivative equation again with the help of the inversion and duplication formulas and obtain _ (^)g/4(_l)j(g+l) e -/> 8 /6^ _ p (/i4)g/4(_1)|(g+l) _^_ .3)} (h?)fa-V[-\(q [Uq U + l)]\2-*(q+V _£ e 6c^.2 The Inverted Double Well Potential From this relation we obtain 395 ^^^i^-w^-vy ^(9-i)(°) (18 59) - Inserting from (18. isin{f(g + 3 .+1iH]«=o = .sin{^( 9 . ~ ^ 1 -5(9+1) 2i(''._l) From this we derive C.60) (18-61) [C>)]o = -iV2i [-1(9 + l)]![i(9 " 3)]! (18. 4 r T (18. (18.+i)(°) [ _ I ( .6 ) } ^ — i t a n < — (q + 3) >.18.(0) = *>-i(„+i)(0> 2 .62) . Starting with the derivative expression we obtain (apart from contributions of order 1/h2) lsin{f(g + 3)} i Sin{|(g .3)}.49).

. .go) ^ (-1) It follows that we obtain for the even function with q — go = 1. Thus we have to determine these conditions first.1. by the rotations E -> einE = -E.63) Proceeding similarly with the second of relations (18. .^ .5 B o u n d a r y conditions at infinity (A) Formulation of the boundary conditions We explore first the conditions we have to impose at \z\ — oo. 7 .9._ e =*.. equivalently.. Anharmonic Oscillator Potentials Then the derivative relation of Eqs. the energy E is real. and the left hand side of (18. i. we again obtain (18.396 CHAPTER 18..1). 18. The analytic continuation of one case to the other is accomplished by replacing ±c 2 by =Fc2 or. (18.2.. 7.L ^ i .64) the right hand side is an exponentially small quantity. 18. 1 1 .e.53) becomes 8 m(I(. the vanishing of the wave functions at infinity). For c 2 < 0 and the solution y(z) square integrable in —oo < ?Rz < oo. (18. With a Taylor expansion about go the left hand side of (18.53).63) becomes (? ... we obtain cos(-(g + 3)) = .( g 0 + 3) | + • • • ~ (g . (g-g 0 )^±^ y e-5?.5. In fact the left hand side of (18. z^ ein/2z. . this is the case of the purely discrete spectrum (the differential operator being selfadjoint for the appropriate boundary conditions. Recall > the original Schrodinger equation (18.65) Expanding similarly the left hand side of Eq. (18.5. z2 -> -z2..9o) ^ cos | .64) about go — 3. (18. (18.63) and (18.65) but now for the odd function with these values of goWe have thus obtained the conditions resulting from the boundary conditions at z = 0.11. (18.63) vanishes for q = go = 1.2) with potential (18.64) for q = g0 = 3. + 3)} = . Our next task is to extend the solution all the way to the region beyond the shoulders of the inverted double well potential and to impose the necessary boundary conditions there. This is Case (1) of Fig.64) In each of Eqs.. ^ .^ >^_>m e J*..9. ...i .

i.e.cos 36. we therefore demand that for $lz — +00 and • —7r/3 < arg z < 0 the wave functions have decreasing phase.66) z3 = \z\3em. + i s i n 3 6 0 i y ) ~3~^ c2\l/2\z\3 oc exp <M — J — .18. the resulting wave functions vanish at infinity and thus are square integrable.e.+00 in arg z € (-!•" * 0 for 5ftz — —ex) in arg z € » N> (18. (18.sin 3(9 This expression vanishes for \z\ —• +00 if the angle 0 lies in the range — ir < > 36 < 0. or — < 6 < -. the case of complex E). 6 6 In the case of the inverted double well potential under consideration here (i. r / c 2x 1/2^3 = exp{ ± i — —\. 1/2.e. Thus in our case here the behaviour of the solutions at infinity has to be chosen such that this condition is satisfied. Thus exp exp- (-<£ff} [+<£ )%} sin * 0 for $lz —s.67) Rotating z by vr/2. for fiz -* ±00 we have y(z) ~ exp < ± i / dz In order to decide which solution or combination of solutions is compatible with the square integrability in the rotated (c2 reversed) case. 2 c2>0.2 The Inverted Double Well Potential 397 One can therefore retain c2 as it is and perform these rotations.e. (18. i. in the domain — TT/2 < 36 < > 7r/2.68) . we set z w r = \z\eie. i. y{z)~exv\-i[-) 7T dV'V. we see that the solution with the exponential factor is exponentially decreasing for \z\ — 00 provided that cos 39 > 0. replacing sin 30 by " 0 + ^) 1 IT = . Now. —}. Then c 2 y/vi ^p^My) yf = exp _ r HvcV2!*!3 cos36. if -TT/3 < 6 < 0.e. i. It is then necessary to insure that when one rotates to the case of the purely discrete spectrum without tunneling.

and there impose the boundary condition (18. 18. for z -> Too. i.Z\. (18.3 The inverted double well potential with turning points ZQ. This is not the asymptotic behaviour of a wave function of the simple harmonic oscillator. We therefore explain our procedure first. (18.3 we see that at a given energy E and to the right of z = 0 (which is the only region we consider for reasons of symmetry) there are two turning points ZQ.21)) were defined in terms of solutions of type A which have a wide domain of validity.e. Our procedure now is to continue the even and odd solutions (18.21) to + infinity and to demand that they satisfy the condition (18. We have to remember that we have various branches of the solutions y(z) in different domains of z. This is the boundary condition also used by Bender and Wu [18]. 18. For c 2 < 0 we have correspondingly y(z) ~ exp I ± ( — 1 — y c2 < 0. (B) Evaluation of the boundary conditions The following considerations (usually for real z) require some algebraic steps which could obscure the basic procedure.68) for c 2 > 0.68) will lead to our second condition which together with the first obtained from boundary conditions at the origin determines the imaginary part of the eigenvalue E. We do this extension with the help of WKB solutions. Anharmonic Oscillator Potentials V(z) Fig.Z\. Thus we have to match the solutions of type A first to solutions to the left of z\ and then extend these to solutions to the right.68) on y±(z) (by demanding that the coefficient of the solutions with other behaviour be zero). we match the WKB solutions . Looking at Fig. Equating to zero the coefficient of the term with sign opposite to that in the exponential of Eq. Our even and odd solutions y±(z) (cf. Eq.398 CHAPTER 18.

*R.4) for E and ignoring nondominant terms) t o .V 2 iL44 + -<?z / „2 4 X COS < f / il/2 G?Z -g/l 2 1 2L4 -z 4 M 1 2i. B. equations (21).2 The Inverted Double Well Potential 399 to the left of z\ to the solutions of type A.70) where z < z\.2.70).18. (18. I [195]. i.e. .zi)/ \ -1/4 y-wKB\ ) z — -g/i* .71) We now come to the algebra of evaluating the integrals in the above solutions. Messiah.4 h + -c z 2 -1/4 < .*l) Z 1 2L4 1 -qh? + -zzh* -1/4 _2i4 VWKB\ ) . From there or the literature* we obtain in the domain V > ^RE to the left of z\ as the dominant terms of t h e W K B solutions -1/4 ^WKB^ \qh2 Z\ + \z2h4 dz - \c2z4 1/2 „2 -czz 4 x exp •r(I.69) The W K B solutions have been discussed in Chapter 14. (18.3 is given by (using Eq. z2h4/A > c2z4/2. ^2? 1- 2qc2 /2? . ^ 2 4 •K + —(r. In using these expressions it has to be remembered t h a t the moduli of the integrals have to be taken.e. We begin with the exponential factors occurring in Eqs.z\) ( \ y^NKQyz) -qh2 -z 4 dz h H—c z 2 x sin ^ .^ T rz\ 1 + -yh* .=-c z 4 dz 1 L2 9 + 2 4 1/2 x exp .. A J-24 1 ? 2 • "^ •-z h -\—c z ~ — q h . t To the right of the turning point at z\ these solutions match on to (r. Dingle [70].^ 4 1/2 + icV 7T Jz + (18. 18. and then use the W K B procedure (called "linear matching" across the turning point) to obtain the dominant W K B solutions beyond z\. Vol. h2 (18. Dingle [70]. (22) or A. f R . 6. p.4. 291. Sec. z\ ~ .B. 4 2 T ' i. 1 2i4 1 2 4 / ~ 2 4 ~ 2 C * (18. The distant turning point at z\ as indicated in Fig. p. 291.

i c V 8c T 2 1/2* ti>_(2 ~ exp 8c \3 2 r< 2cV 2c2 z2 i-24£Y'2u h* 3/2 >.69)) rzi J<z z dz Z[&-Z*]W = + ^Y /2 m '"U4 1/2 2d2 + 2c2 Since we are interested in determining the proportionality of two solutions in their common domain of validity we require only the dominant 2-dependence contained in this expression.2 \ 1/2 . (18.±9/2 = ^ V M z^l2 21 2c2 exp ± i dz 1 4 1 1 V2- 2 (18.\qh2 + \z2h± . In the remaining factor we have (looking up Tables of Integrals) 21 2 dz h 4 2 2c..2.72) Here the first part is the exponential factor contained in 2/A(Z)) J / A W respectively (cf.4 In 2c 2 J + 1/2 ^1 2c2 1/2 21 and hence (with use of Eq.^ i ^ ^ c 2 .400 i.e. Eq. (18. (18. CHAPTER 18. We obtain this factor by expanding the expression in powers of zjz\ (since in the integral z < z\). .^ ] V 2 and so /^2f 8c2 3 1 2cVl3/2 h* f q fZ\ ck h^y/ E± = exp T 2 jJ Z ^ [ g . (18.73) . Eq.40)). Anharmonic Oscillator Potentials E± = exp = exp .^ I 2 2 1/2- zV = F 8c2 Jz [i .2. zi 2q 1 c 2 [1 .40)) E± = exp _/^_2 f ± In A 2c2 . Thus the above factor yields '2c2\l/2 h4 so that (cf.2^3/2 2_(h^\ll2 2czz 4 N 1/2 8?3\ 2 ~hf ' =F9/2 ^ 2 ^ .211/2 1 \ /j.

77) Now in the domain 2 — oo we have > \qh2 .78) Inserting this into the solutions (18. (18. In these expressions we have chosen the signs of square roots of h4 so that the conversion symmetry under replacements q — —q. we see t h a t in their common domain of validity VA (z) = /3ywKB 0)> where .*l) (3y^(z) (18. h2 — — h2 is maintained.79) +S_(±)exp . > » Returning to the even and odd solutions defined by Eqs.74) Comparing these solutions now with the solutions (18.71) and these into (18.2 The Inverted Double Well Potential 401 Thus at the left end of the domain of validity of the W K B solutions we have (l.21) we now have V±(z) 1 2 \yA{z) ± yA(z)} = \W^(z) WI ± _(J.20a) and (18.(J-*i) VA 0 ) = PVwKB (Z C.76b) apart from factors [ l + 0 ( l / / i 2 ) ] .Zl) ( \ y-WKBV^J \z h* 2 1/4 and ywKB(^) \z h* 2 1/4" (18.20b). CZ2 JZ1 cz 3^2 V2 h6 12c 2 ' Ac2z2 cz" 3y/2_ (18.21 1/2 .18.*l) (18.77) we can rewrite the even and odd solutions for 9te —• oo as (by separating cosine and sine into their exponential components) -1/4 y±{z) .1 ) 9 / 2 _(2c 2 ) 1 /2_ -1 (18.76a) P P r 2/1 2 " 9 ( .\z2h4 + J Z\ nl/2 \M fZ .2Z 4 -C S ' + ( ± ) e x p I i\ cz / cz3 V3\/2 U^2 h6 12c 2 12c2 J (18.75) 9/2 1/2 0= or '(2c )V2 2 and (3 = — 2 2 (-fr2) (2c 2 ) 1 /2_ -9/2 (18.

/i2) = E{qQ. 18.h2) + {q-qo)(^pj = E(q0. Inserting this into the latter equation we obtain (the factor "i" arising from the minus sign on the left of Eq.68).81) Inserting expressions (18. h2) = \qh2 . (18..^ j .6 The complex eigenvalues (1883) We now return to the expansion of the eigenvalues.e.^ § ( 4 g 2 + 29) + O ( ^ ) .^(q2 + 1) . E(q.e.65). Anharmonic Oscillator Potentials where 5+(±) 5_(±) = = Q / ? ± ^ e x p ( ^ ^ T ^ ) e x p ( ./ ? = 0.. Eq.5.34).80) Imposing the boundary condition that the even and odd solutions have the asymptotic behaviour given by Eq. this equation can be rewritten as or as the replacement + / u6 \ 90/2 (-/i 2 )W 2 =^(_) 2®"1 f — J . (18. (18.402 CHAPTER 18. we see that we have to demand that 5 + ( ± ) = 0.. (18.84) Expanding about q = qo we obtain £(g. (18. (18.. i / 3 ± .82b) This is our second condition along with Eq.2.h2) + (q-qQ)h- + (18.. (18. i.82b)) /j6 \ 9o/2 («-*) = W? ma-m ''*• with qo — 1.3. i.76a) for (3 and /3. (18.85) + --. .

g. In the above we did not require the matching of WKB solutions at the lower turning point ZQ to the solutions yA(Z). Since this is not without interest (e. The large order behaviour of the eigenvalue expansion (of Case (1)) which Bender and Wu derived from their result (18. ZQ (2g)V 2 / h \ 2qc2 he (2q)1/2 In the domain 9ZE > V to the left of ZQ the dominant terms of the WKB solutions are (cf.-4 1 2 4 1/2 ft + i c V 2 -1/4 + f}' z.g ( .o 2 + 29) + o ( ^ ft6 \ 2qoh2[ —~ 2 ( ) < • 9o/ 2 ' 2c J -ft 6 /6c 2 '(27r)V2[i(go-l)]r • (18 86) - The imaginary part of this expression agrees with the result of Bender and Wu (see formula (3. i.h2) The final result is therefore E (-) i ( 2 7 T ) V 2 [ l ( g o .e.86) will be dealt with in Chapter 20. ft6 ^ = e.~p{q. where the superscript {r.3. [19]) for ft = 1 and in their notation 90 = 2 ^ + 1.3: Matching of WKB solutions to others at ZQ Determine the proportionality constants p(q.yA{z). Example 18. zo} means "to the right of the turning point ZQ" .ZQ) .18. ^ 2 4 y -qh 2H ""{-f' z h H—c z 4 2 1/2 1 ^ 4 + IC2Z4 dz -qh2 4 2 . Solution: The turning point at ZQ close to the local minimum is given by -qh2 2* 4 -z2hA -c z ~ 0. above) (1.36) of their Ref. * _ -qh2 -1/4 *• 2 j _ 4 i 1 2 4 -z h H—c z dz -qh2 2 1 2L4 •{/. h2). o 2 + l)-^(4.-h6/6c2 E = E(q0. in comparison with the work of Bender and Wu [19]) we deal with this in Example 18.2 . S W K B ( 2 ) = PVA(z). !*WKB(Z) ~ 2 .l ) ] ! > + = ^ 2 . h2) of the relations KWKB (Z) =PVA(Z).2 The Inverted Double Well Potential 403 Clearly the expression for (q — go) has to be inserted here giving in the dominant approximation / h6 \ <?o/2 .

the (approximate) solutions* 1/2 exp • ± i ( .l c y dz 4 1/2 x exp •! / —(r>zo)/ \ 2 -1/4 1 2y x exp 2 1/2 L dz -qh2 2H + ~z2h4 4 - 2 -c2z4 we nave where 2 > 20. N. Anharmonic Oscillator Potentials where zo > z. In the domain V > SHE to the right of 20 the dominant terms of the WKB solutions which match on to 2 / W K B ( Z ) ' ^ W K B ( Z ) a r e res Pectively -1/4 (r. On the other hand in the exponentially behaving W K B solutions the quartic interaction term acts as a correction to the harmonic term close to 20. 2 z 2 ) / 2 e \ . J ^ K B match on to the W K B solutions with exponential behaviour to the right of 20.g In other words.O. . Schwind [247].ic224 2 4 -qh2 + i^fe 4 . Expanding the square root occurring in ^ W K B W ' ^ W K B ^ ) ' Igft2_I22h4+lc2z4 2 4 2 and we see that 1/2 = 7 ^ 1/2 2.404 CHAPTER 18..1/2 h? \z{z -zlf' -\z \n\z 2 2 2 + {z2-z2Y/2\ 2q h2 4 • In (V2zh V s/q Then to the same order of approximation .zo)/ \ -qh2 2 ZO + -z2hA 4 2 . f x Zn -4) h2 2-.zo) % ' K B (Z> 1 / 4 2 l / 2 h z V Q / 2 7i/2 4 2 e x p ( ^ e . cf. and we have 1/2 dz h?_ 2 J /i2 qh2 + iz2h4 _ ^ 4 J dz zn -qh2 + -z2^ 1/2 .] { hz combined with the particular constants contained in y ^ ' ^ g ." / 4 hj (ft2 2 2)( 9 +l)/4 J'W'KB (Z) 2\1/2(fe222)^-1)/4 h) exp(±h2z2) ^2ey/4 * Solutions of this type (which are asymptotic forms for q — 00) have been investigated in t h e > literature./ ^ 2 X 1 / 2 exp(ifi.

89) . i.41) for yA(Z). ~p requested at the beginning are given by /1y/2[j(g-i)]i2^c-^ h 6 /12e3 /ly^-ih+iwi"-" w 18. Then . (18.z ± ) = . (18. The last expression can be made acceptable for q = odd integers by applying Stirling's formula in the denominator of the second of the previous pair of expressions._ .yA{z) with expressions 27WKB i J'WKB ' that the factors p. We can reexpress these relations with the help of Stirling's formula.87) The minima of V(z) on either side of the central maximum at z — 0 are located at h2 h8 z± = ± with y(.3.g.kyil(. 4" ) (h?z2)^q+1) for q j£ odd integers. But there are significant differences.zo).^ 1 .J ' i J .3 The Double Well Potential 405 It may be observed that 3/Y/KB ( z ) corresponds to solution (3. In this form the WKB solutions reveal their similarity with the solutions VB i VB > Vc i Vc a n c ' demonstrate that the factors which we inserted (e. (18.-Df-J»v we see Comparing now the expressions (18.88) + [E-V(z))y{z)=0 (18. „ / M 1 / 2 i .1 The Double Well Potential Defining t h e p r o b l e m In dealing with the case of the symmetric double well potential.. as in the case of the Mathieu equation. (j .3 18.e. h4 > 0. We consider the following equation ^f& with double well potential V(z) = v{z) = -jz2h4 + ^c2z4 for c2 > 0.18." / 4 ( ? « / 4 .23)) appear quite naturally.5 |"l _ o f . we shall employ basically the same procedure as above or.(r.13) of Bender and Wu [19]. in Eq. J/J Hence ^ and h so that \]q] \2"'2 ~ ( 2 7 r ) 1 / 2 e . in fact.1)! = ( 2 7 r ) 1 / 2 e .

z Fig.95a) . (18. 18. the previous equation (18.91) (18. (18.94) (18.4 The double well potential. (18. (18.92) (thus we sometimes use h4 and sometimes Ii±) and E-V{z±)=l-q±hl With the further substitution + ^.z±). vW(z±) = ±Qch2. Anharmonic Oscillator Potentials and V{2\z±) V(4)(z±) = = h\ 12c2.90) V(i)(^)=0.91) becomes T>q±(w±)y(w±) = o(-^-)y.406 CHAPTER 18. In order to obtain a rough approximation of the eigenvalues we expand the potential about the minima at z± and obtain y dz2 We set + E .i>5. .V(z±) -l-{z- z±fhA + 0[(z .z±) y = 0.93) w± = h±(z .

(18.95a) and (18.2.. d2u{z dz2 + v+ 2~r u(z) = 0.97a) U(z) = (z-z±)2 + 0[(z-z±)3}. is again seen to be invariant under a change of sign of z. (18.i 4 f W » = o.. (18. (18.e. Eq. (18. qo = 2n + l. Inserting the expression (18.99) V2\ZZ The equation for A(z) is given by the following equation with upper signs and the equation for A(z) by the following equation with lower signs: A'\z)TV2Lz2-I^\A'(z)TV2czA(z)+(^q±h ±+^r)A(z) = 0. where U{z) = and near a minimum at z± 4_ 4 jp[V(z)-V(z±)]. given one solution.18. we obtain d*y (18. we conclude that in the dominant approximation q± is an odd integer.2 T h r e e pairs of solutions We define our first pair of solutions y(z) as solutions with the proportionality y(z) = exp \h\ f uV2{z)dz (18. (18.100) . 18.96). we obtain another by replacing z by —z.98) Evaluating the exponential we can define these as the pair yA{z) VA(Z) = A(z) eyip = A(z)exp + —z V2\3 4c'' Ac' (18. Thus again..93) for E into Eq.95b) with the equation of parabolic cylinder functions u(z) = D„(z)..96) dz2 + 5 « 4 + | . i.97b) Our basic equation.3.95b) By comparison of Eqs.1. n = 0.3 The Double Well Potential where ^ 407 d2 •« 2- 2 - d8.87).

101b). The dominant approximation to A is then the function Aq given by the solution of the first order differential equation VqAq(z)=0.103) Looking at Eqs.102) We observe that a change of sign of z in this equation is equivalent to a change of sign of q. ~h2.4. n± = V2h2.^q(l7q2 6 4/i + 19) + (18. 8hw (18. The result is given by A and E(q.e.102) yields the following expression M*) I z2 _ z2 11/2 *+ z + z+ q/2 z+ 1(9-1) \z + z+ 1(9+1)' (18. but the solution is a different one.c W + 1) . (18.z) by either changing the sign of z throughout or — alternatively — the signs of both q and h2 (and/or c).^ A"{z) + 2c V2 *-A(z) (18. i. h2 h4 2c' with g+ = q. We leave the calculation to Example 18. h2.106) . yA(q.408 Since CHAPTER 18. i.e.101a) {z2+-z2)A\z)-{qz+ + z)A{z) = ^- A"{z) + £-A{z) (18.105) "8 + 4 ^ .h2) . z) = yA{q. these equations can be rewritten as + (qz+-z)A{z) = . (18. Integration of Eq.104) Both solutions yA{z).1 6 ) . -z) = yA{~q. (18. h2.101a). Vq = {z2+-z2)— + (qz+-z). h2. z) may be obtained from the solution yA{q.c W + I ) 2C yfi 2h 5 2 A V2c* g(17g2 + 19) + 0 ( / t .h2. we observe that the solution y^iq.yA(z) are associated with one and the same expansion for A and hence E. (18. z).101b) To a first approximation for large h2 we can neglect the right hand sides. Anharmonic Oscillator Potentials and selecting z+ (z2+-z2)A'(z) h z+ = —. Aq(z) = Aq(—z) = A-q(z). (18.

106). i.110) Aq+2+Aq-2 9+2 -A. . . The first such step would be to re-express the right hand side of Eq. ± 2 . (18.108) We wish to rewrite this expression as a sum y coefficientiv4.qz+)2 .113) 2 . 9-2 ZZJf- (18.105) and (18.2 z\) • Aq-$-4 £Aq + Aq—4. Thus it is natural to explore analogous steps. (18.3 The Double Well Potential 409 Example 18.(l + + 2 - z y* .103): . as a linear combination of terms Aq+2i.j-f-2i(2) We also note at this stage the derivative of the entire solution yA(z) taking into account only the dominant contribution: yA(*) =* -A*2 V2 . First. (18.. Similarly we obtain _z+_ Z _ Aq + 2 — Aq Aq+2 + Aq 1-2 ^g+2 A ± ± _2A 2 ± 6 + (18. We know the first derivative of Aq from Eq. + Aq+2 + Aq Aq+2 . .{z2 .111) {Aq+2 - Aq-2)2 (4zz+)2 {z2 - 2 -.103) for Aq{z) is very similar to that of the corresponding solution in considerations of other potentials. z • .114a) .z\) + 2z(z .4zz+q+ z\{q2 + 1)].4: Calculation of eigenvalues along with solutions of type A Show in conjunction with the derivation of solution y^ that the leading terms of A and hence E are given by Eqs. such as periodic potentials. .107) KV) ~- Aq(z) {z*-z\y Aq{z) (z 2 z\f (z . (18. ± 1 . however. = Aq+2i+2jAq.109) We observe some properties of the function Aq{z) given by Eq. .z2 ) N -t. we re-express A'q in terms of functions of z multiplied by Aq. Solution: The structure of the solution (18. (18. J = 0.e.112) From these we obtain.18. -<4q+2 — z — z+ Aq+2iAq+2j (18.+ 2 ^ ± l + 2^±i + . A Differentiation yields » = ^^w- (18.101a) with A replaced by A .qz+) [2z2 .102). for instance by componendo z z et dividendo. .*l) (* ~ "+> ) A (z)exp q /2 \ 3 4c J (18.Aq 1 + 2^± 2 Aq+2 -(^M^f (18. (18.

Vq+2iAq+2i=0 and Vq+2i = Vq + 2iz+. cf.4)A„_ 4 + (q.2 ^9+2 „^9+4 + \4z \4z+J z+ Finally we have also [A q _4 — 2Aq-2 + 2Aq+2 — Aq+4 (18. ' T h e reader may observe the similarity with the corresponding coefficients in the simpler case of the cosine potential. (18.117) -4(q + l)2Aq+2 Here the first approximation of A. we obtain 5 K = ( ^ f ) [ ( 9 . <?) = 6(<j2 + 1) + z: 2 2A +72"' (18. In particular the dominant approximation of A is obtained by setting (q. where the lowest coefficients have been determined above as (9.q + 6)A<.l ) 2 A .4]j.2\2 (z* .q + 2) = -4{q + l ) 2 . Anharmonic Oscillator Potentials A 1 .z%) 1 n z+z 2 \4z+J [Aq+4 [Aq+4 .4Aq+2 + Aq+A Inserting (18. (18.34). (18. _ 4 .108). (17.101a) the contribution R .z\Y Z2 + {~)\Aq+4-2Aq 1 224 Aq.2Aq + Aq-4] 1.410 and from this = Hence with Eq.112).4 ( g . -.115) and (18.119) It is now clear how the calculation of higher order contributions proceeds in our standard way.112) CHAPTER 18.q)Aq + (q.118) 2s/2c ~^j[(?. 1_4^±^+8^±±-12^±^ +.3 ) A . q + 4)Aq+4 + (q.114b) .aAg+S 12+ 16- (18.+6 + • • • ] . •••].<? +{q. (q.116) into Eq.33) and (17.9=F4) = (g=Fl)(?=F3). (18. (18. . leaves uncompensated on the right hand side of Eq. QA?+4 _ 10 A + 6 . (q. q) = 0. _ 2 + 6 ( 9 2 + l)A ( ] + (q + l)(q + 3)Aq+4. i. (18.4A ? _2 + 6Aq .e.l ) ( g .115) (z*-z%) 2 -i2 (z 2 .116) [Ag-4 . Eqs.q + 2)Aq+2 (18.4 4+* -+ . A(°~) = Aq.q2)Aq-2 + (q.(0) V2 ' 2c K + h4+Ao . Since VqAq = 0.2A g + A g _ 4 ] .

i.4 ) ( 0 ) ( g .h2.g) 8z+ (g. which reduces to 2 \/2c 2 0 = 2(3g 2 + i) + — A + ^ g .{^ h2. (18.(0). \Z-Z±\ > 0 ( -y We can define solutions which are even or odd about z = 0 as y±(z) = = £ fe^te' h2> z) ± y A. of course.105).2 ) (0) (18. (i) _ / V2c\ [ ( g . 9 + 2) Aq+2-Az+ (9.z) Considering only the leading approximations considered explicitly above we have (since Aq{0) = l/z+ = A. for i = 0.124) . g + 4)(g + 4.101a) the contribution Rq .28. Terms jj. (18.g ( 1 7 g 2 + 19).0) = y^(q. (g. A' (0) = -q/z\) y+(q.g-2)(g-2.e. z)\ = 2^A^ h2 '>z)± VA(Q. in the domains away from the minima.-h2.z)±yA(-q.e. h2.122) The solutions yA(z). -*)] (18.120) The sum A = A^ + A^1) then represents a solution to that order provided the sum of terms in Aq in Rq and Rq is set equal to zero.yA(z) derived above are valid around z — 0.g) Az. h2. i. h2 2y^ Age? h4 (18. y'_(q.h2.123) ^[yA(q. g . 9 + 4) ^+4-8z+ (18.Aqjr2i in this may therefore be eliminated by adding to A^0' the contribution A^1' given by (9.g) -4z+ {q q)+ 2r (9. g) -8z 4 . (18. thus yielding the next approximation of A as given in Eq.9-2) ig-4 ' H ~ 23/X4 iz+ An-2 H + (9.3 The Double Well Potential we have T>o 411 -2iz+ J Aq+2i except.9-4) 8z+ (9. y'+(q.9-4)(g-4.0)=0. where Rq is the sum of terms left uncompensated by AW. The first approximation A(°> = Aq leaves uncompensated on the right hand side of Eq.g + 2)(g + 2.h2. g .0)=0.h2.121) This coefficient of Aq set equal to zero yields to that order the following equation 0 £) ' {-^) (g.0) = ^ .

2(9+) . This means.412 CHAPTER 18. we have w±(—z±) = —2h±z±.yc(z) providing a pair of decreasing asymptotic solutions there (or correspondingly y~B(z)iyc(z)). Inserting (18.126b) These are solutions again around a minimum and with yB(z). yB(z). in view of the factor "i" in the argument of Cq the solutions VAJVC have the same exponential behaviour near a minimum. (18. + 0(hl2).95b) that the solution there is of parabolic cylinder type. we > . Bq[w±{ ^ . Thus yc(z) Cq[w±(-z)} = = Cq[w±(-z)]+0(h±2). (18. in this case we use the Schrodinger equation with the potential V(z) expanded about z± as in Eq. and another VB(Z) ± 25^ch3wl + c2wi .95a) and (18.126a) hjW + l)]! VM = Vc(-z) = Cq[w±(-z)] (18. 18. Moreover. (18.95b) — 1 T>q(w±)y(w±) = j£ Thus we write the first solution yB(z) = Bq[w±(z)] + 0(h±2). the equation is — with differential operator T>q as defined by Eq.3. (18.yc(z) with complex variables and Cq(w) given by Eq.99) for z — z±. We see already from Eqs.125b) It is clear that correspondingly we have solutions yc(z).125a) = VB{~Z) = Bq[w±(z)] + 0(h±2) = Bq[w±(-z)] + 0(h±2) (18. (18.^ % [i(?-l)]!24(«.93) and setting w± = h±(z — z±).3 M a t c h i n g of solutions Next we consider the proportionality of solutions yA{z) and VB(Z). (18.Evaluating the exponential factor contained in VA{Z) of Eq. Anharmonic Oscillator Potentials Our second pair of solutions.2A y(w±).We draw attention to two additional points.91). Since w±(—z) = —h±(z + z±).1 ) D (18.yB(z) is obtained around a minimum of the potential. but w±(z±) = 0.23) with appropriate change of parameters to those of the present case.

-^/w + ± 1 . Here z± = ±h?/2c are the positions of the minima of the potential. .172) obtained later.-frW. (18. a= ^ . and comparing with Eq.97b)) exp 413 '-\hlJQ'uV\z)dz = exp = exp (18.146). .i*l(«-^ 4'"+^+ 4"'+v ( « .129) . ein+z+e in+(z |22+||(<?+i) . Allowing z to approach z+ in the solution IJA(Z).127) Recalling that around arg w± ~ 0.164)) only in a nonleading contribution and hence implies the equivalence of the exponentials in the relation (18.« + ) 2 (9+1) e (18. Thus for h very large these turning points are very close to the minimum at z+.3 The Double Well Potential (cf.147)).. Eqs. .-^(±>(^-*4 ^\h\{z-z±f exp 7>2 r 2 ^n±z± For later reference (after Eq.125a) we see that (considering only dominant contributions) in their common domain of validity e ^+z+ l + O 1 yA{z) = -yB(z). (18. We observe that for z — z± the approximation yields exp[±/i? t z 2 t /4]. (18.128) Similarly we obtain in approaching z+: VA(Z) - ( 2 ^) |(9 " 1} e.97b) ~ exp . 24(9-D[i(g-i)]! hj (18. we have \z ~ Z+\^Q ^ l f e 2 2 2 _kh2( ~ i .ZI and find that these are given by z+ + 0(l/h) for finite q (cf.• • " .172)) we add here comments on this approximation.z±)dz . (18. 2 An+z+e 4w+ (18.• )2 (^)ito-i) ( 2 z + ) 5 ( 9 + i )e ' yA(z) z+> lft2 2 _ I . (18.18. Consequently the above integral from z = 0 to z± differs from that from z = 0 to a turning point (as in expression /2(C)) of Eq. . the dominant term in the power expansion of the parabolic cylinder function is given by Dv(w±) ~ wv±e-w±>4. . (18. Later we calculate the coordinates of turning points ZQ.

(18. even above the turning points.4 B o u n d a r y conditions at t h e m i n i m a (A) Formulation of the boundary conditions The present case of the double well potential differs from that of the simple harmonic oscillator potential in having two minima instead of one. R. K. since. de Deus [66] and W. but it is clear that none of the above solutions can be used at the top of the central barrier. D. Bhattacharya [23]. The involvement of these WKB solutions leads to problems. S.414 and CHAPTER 18.7r and the solutions of type C around argz = ±7r/2. Thus it is unavoidable to appeal to other methods such as the WKB method to apply the necessary boundary conditions at that point.131) We have thus found three pairs of solutions: The two solutions of type A are valid in regions away from the minima. and this means at both minima. The next aspect to be considered is that of boundary conditions. basically. we naturally expect the wave function there to be similar to that of the harmonic oscillator. Since it is more probable to find a particle in the region of a minimum than elsewhere. Various investigations^ therefore struggle to overcome this to a good approximation. P. Bhattacharya and A. K. Anharmonic Oscillator Potentials D_h{q+l)(iw+(z))2i(o+V Vc( ) z 2i(g+1)ei^(z_. they assume large quantum numbers. The solutions in terms of parabolic cylinder functions have a wide range of validity. and are both in their parameter dependence asymptotically decreasing there and permit us therefore to define the extensions of the solutions y± which are respectively even and odd about z = 0 to the minima. J.+)2 [-1(1 + I)]' [-i(q+ l)}\[ih+(z . We have to impose boundary conditions at the minima and at the origin.\-h\)^+l\-\{q l + l)]\ 1+ 0 J_ . We achieve the same goal here by demanding our basic perturbation solutions to be interconvertible on the basis of the parameter symmetries of the original equation. Thus 1 E .3. The pair of solutions of type B is defined around argz = 0. Furry [102] . H. S.z+)]fr+V ' (18.130) Therefore in their common domain of validity a a = dte+vM' {2z+)^. 18. Rau [22]. g .

18. 18.133) imply yB(z±) yc(z±) « a' and y'B(z±) y'c(z±) a a (18.132). We have therefore the following two sets of boundary conditions at the local minima of the double-well potential: y'+(z±) = 0. The odd wave function then exhibits a correspondingly opposite behaviour. as indicated in Fig.135) Hence the conditions (18.Zii -yB{z±) a ± a -yciz±) (18. y-{z±) £ 0. y'_(z±) = 0.132) Fig.5. and y+(z±) = 0. ^(*±)#0 (18. We have y±(z±) = -^VA{z)±yA{z)]z^.5.133) y+(z±)^0. and y'±(z±) -V'B(Z±) ± =y'c(z±) (18. (18.134) y'+{z±) ± 0. as indicated in Fig. 18.3 The Double Well Potential 415 the most basic solution would be even with maxima at z±. However. an even wave function can also pass through zero at these points. y-(z±)=0. At dtz — ±oo > we require the wave functions to vanish so that they are square integrable.18. (18.5 Behaviour of fundamental wave functions.136) . as indicated there.

.141) and cos<J^( 9 + l)|> 4 ~ cos | ^ ( g o + l) | ~^(q-qo) (_l)*fo>-i)( g _ g o )?[ 4 for sin | | ( g 0 + 1) J + go = i.«*{=(.54) +l j 2^[I(Q-l)]![I(g-3)]!sin{f(g+l)} ^^ ^ r i r ( T(y+me'm' (18 137) - where we used first the reflection formula and then the duplication formula.5.. (1. 1 1 . (18.„*{!<.136) the dominant approximations we obtain (cf. (18.m Using Eq.9. .. . (18. 7 .2 we can rewrite the second of (18. -.142) -(<Z-9o)J(-l)^°+1)(-l)1/2- . +1)} = 4 m. also (18. Thus sin {^ +1) } = ^^>^30fe-^i.138) Using formulae derived in Example 18. Anharmonic Oscillator Potentials (B) Evaluation of the boundary conditions Inserting into the first of Eqs. _ 8)} s -. .416 CHAPTER 18. (18.134) this equation can be written Now sin | ^ ( 9 + 1 ) 1 oi sinl j(q0 +I) \ + ^(q-q0) ~ (_l)^(9o+i) ( g _ g o )| for cos I ^(q0+ !)[ + ••• 50 = 3 . Eqs.136) as | M .

3.5 (after determination of the turning points) we rederive this relation using the WKB solutions from above the turning points matched (linearly) to their counterparts below the turning points and then evaluated at the minimum. y+(0)^0. y'+(0) = 0.6 Turning points z$. 18. 18.5 B o u n d a r y c o n d i t i o n s at t h e origin (A) Formulation of the boundary conditions Since our even and odd solutions are defined to be even or odd with respect to the origin.18.» ^ B ^ ' .1 -"-- <813 1 4) - In Example 18. we must also demand this behaviour here along with a nonvanishing Wronskian.144) Thus we require the extension of our solutions to the region around the local maximum at z = 0. We do this with the help of WKB solutions. We emphasize: We needed the solutions of type A for the definition of even and odd solutions. we matched them to the solutions of types B and C which are valid there and hence permit the imposition of boundary conditions at the minima. We deduce . Since the type A solutions are not valid at the minima.z\. Hence we have to impose at z — 0 the conditions j/_(0) = 0. y'_(0)^0. (18.3 The Double Well Potential Thus altogether we obtain 417 ^ • . V(z) — • z E=V Fig.

145) \qh\ + \zW Using z+ = h2 /2c. (B) Evaluation of the boundary conditions We now proceed to evaluate the boundary conditions (18. the dominant terms of the WKB solutions are* 1 yWKB\ ) Z 1 1 ~l/A 1/2 ~ -qh\ x exp + -h%U{z) . to the left of ZQ where V > E.24 -C Z O 1/2 ZQ = Ac2 + + °(r A_ 2c 1 2 2q\ 1/2 2 / cq 5 + h± + 0(h~ ) h%) (18.148) ("f * "The superscript (I.\qh\ + \h%U{z) (18.144). in leading order the integrals to be studied below from ZQ to z = 0 are equal to those from z+ to z = 0. i.147) Since the minima are at z± — h2 /2c with /i 2 very large.^1 25c2 + V2 2 Thus again we see that for large values of h2 the turning points are very close to the minima of the potential for nonasymptotically large values of q. we see that the turning points ZQ and z\ are very close to a minimum for reasonable values of q ~ go> the latter being an odd integer. h8 25c2 (18.418 CHAPTER 18.e.e.146) and Iqh* 1/2 z\ Ac" + +o ^ (2g2)V4 2c + /i ' (18. Anharmonic Oscillator Potentials from Eq. As a consequence. one finds that . In the domain 0 < z < ZQ. ZQ) means "to the left of 20" . (18.96) that the two turning points at ZQ and z\ to the right of the origin are given by \qh\ i. + £--\h%U(z)=Q. We also note that the height of the potential at the turning points is h8 qh V(z) 20.

S2 ) dz rzo 1/2 '-Ihl + ^Uiz) I 1/2 / Jz dz (z~z+) - w + 1/2 1 = ±lh+ 1/2 ZQ-Z+ Z — Z+ 2 i^-$) 1/2 ~4 >'^. we have to match yA(z). Thus we consider in the domain \z — z+\ > {2q/h2+)l/2\ h -1.18. .149) In order to be able to extend the even and odd solutions to z = 0.151) In identifying the WKB exponentials we recall that y^KB is exponentially increasing and ywKB is exponentially decreasing. (18. (18.148) and (18.149) and consider both types of solutions in a domain approaching but not reaching the minimum of the potential at z+.^ + ) 2 + igln|2(z-z+)|.^ j O e . Hence we have for ywKB the exponential factor exp ("f * Z+ \*l*e\*(\h% 1 1/2 \qh\ 9/4 + \h\U{z) e-\{z-z+?h\_ (18-152a) .150) Evaluating this we have ±h ~ -h2 GMln 1 In 2g q In +4 1 (z .i (2q ln (18.* 4+ .^ e therefore have to consider the exponential factors occurring in (18.3 The Double Well Potential and -1/4 419 ywKB\ ) z — \qh\ x exp I / + \h\U{z) 1/2 I.(29/^)1/2 1 ^(z-z+){(z-z+) 1/2 2 2q_\ 1/2 hJ 2 l l q+ q | ^ ( ^ . )+^-*+)2-lr} rnD h\z'2)}z Q )\ = .y^(z) to 2/VVKB(Z) anc ^ ^ W K B ^ ) . 20 dz \qh\ + \h%U{z) .

154) .153) This expression is valid to the left of the turning point at ZQ above the minimum at z+.125a) and (18. The only way to relate these solutions is with the help of the Stirling formula which converts t h e product or ratio of such factors into factorials such as those inserted from the beginning into the unperturbed solutions (18.152b) [\(q 1)!] V2 K7: hi Here q/A was assumed to be large but we write [\{q — 1)]! since this is the factor appearing in the solution (18. This is the aspect investigated by Furry [102]. we can write the exponential as exp (27T) ("f 1/2 I dz Z+ 1 qh\ + q/A 1. Thus using the Stirling formula z\ ~ e~(z+1\z + l)z+2y/2~rr.e. Since correspondingly -1/4 2 l/2 \*% we obtain + 4/1W*) (*-^)i/'(M)i/*' 27T 1 / 2 {h\)^{\{q-1)]\\2"+ *+ 1(9-1) ~hi l2 q/A e \{z-z+)*hl for \z — z+\ > m 2q \ (1 ' (18. \ yWKB\ ) z 1 fl(g-3)]! V*(h%)V*\z-z+\h(*+V\2 -q/A h + e* \(z-z+)W+t (18. Stirling's formula is the dominant term of the asymptotic expansion of a factorial or gamma function and thus assumes the argument (oc q ~ 2n + 1) to be large (it is known. of course. t h a t the Stirling approximation is amazingly good even for small values of the argument). using Stirling's formula (and not the inversion relation) — we have —(1. We see therefore. -|l/2 ~h\U{z \(z-z+?h\ (18. the results necessarily require adjustment or normalization there in the q—dependence.ZQ) . However.125a).126a). Anharmonic Oscillator Potentials We observe here t h a t the W K B solution involves unavoidably the quantum number dependent factors exp(g/4) and (q/A)qj/4 which do not appear as such in the perturbation solutions.420 CHAPTER 18. In a corresponding manner — i. since there is no way to obtain an exact leading order approximation with Stirling's formula for small values of q.

155) (2z.3 The Double Well Potential 421 where [\q}\ was written as [\(q — 3)]! for q large. (18. linearly matched) W K B solutions.5 for the calculation of the tunneling deviation q — go by using the usual (i. and is shown to reproduce correctly the result (18. Comparing for z —• z+ the W K B solutions (18.143) T^^-*))- 27T (18.e.144) we obtain fi(0) Tin the present case as 1 (9-1) 1 — 5 (18.159) 7 -i(«-i) r(9^3) ^2~ j(9-l) . [\{q — 3)]! are really correct replacements of [\q}\ only for q large.157) Since the factorials [^(q — 1)]!. as the results also seem to support. multiplied by (1 + 0(\/h\))) the proportionality constants 7 .99).n('>2o) 3/WKB(Z) =1VA{Z)I (18.e. (18. 7 of t h e matching relations y^NKB\z) i. 27T1/2 9/4 1VA{Z). Returning to the even and odd solutions (18.103) and (18. However.154) with the type-A solutions (18.158) Applying the boundary conditions (18.157) is used in Example 18.104). it is our philosophy here that the factorials with factors occurring in the perturbation solutions are the more natural and hence correct expressions. (18. we obtain in leading order (i.156a) and 7 _ i\(Q-m •K •/2(M )l/4 ^ 2 n« -q/4 (2*+) •|(9-D e ^^4. (18. .143) which was obtained with our perturbation solutions from the boundary conditions at the minimum.123) we have V±(z) 1 -[yA(z)±yA(z)} = ^y^l(z) ± ^j#&(*) (18. The relation (18. \hl.156b) Using again the duplication formula^ the ratio of these constants becomes 1 7 (h2+)i/2(2z+)i [fa-W e 2n+z+ — Aft 2 72 (18.153).e.18. this result is somewhat imprecise.K?+1). .

. 3G2 12V2c ^See P. formulae 220.161) we can rewrite the integral as r I2{z) = -= dz^{a2 .k'/2.19. n + uY 2c „ ^6 8V2c2 (18.05.163b) The integral hi?) .149) near z = 0. G2 K [i 4.3 evaluated at z = 0 is then given by = y/T+u[E(k) uK{k)} (18.iV2 ! i .. Friedman [40].422 CHAPTER 18. D. Byrd and M.. We have 1/2 dz Jz \qh\ + \h\U{z) dz Jz 4 ^-? lfh 2\22c dz ¥+ A4 l 4 3 1/2 1/2 dz Jz — cz h4 CZ qh\ dz4 qh\ <Wc h+ 1/2 Jz zo 2V*\Vc h 4 ) T Jz 2\/h ~~2 /2(^--2 —pz I V2 dz ^?-^-- h+ Z 4? + ^f ^2<«2 (18.148). p.163a) (18.162) T h e integral appearing here is an elliptic integral which can be looked up in Tables. Anharmonic Oscillator Potentials Thus we have to consider the behaviour of the integrals occurring in the solutions (18. F.z2)(b2 - z2).. (18. K(k)} 3 ^ 2 y/T+u[E{k) uK(k)\. 213. .-t The elliptic modulus k (with k' = 1 — k2) and an expression u appearing in the integral are defined by b2 1 U kz = -^ = l + u so t h a t = u=S-^q hi = GV2q.164) / 2 (0) z ca [(1 + k2)E(k) . p. (18.160) Setting 6 =4?-^T"z°' rb Ac2 + VQ—> (18. 60 and 361.

( ft 7. (G\ .3 The Double Well Potential 423 where K(k) and E{k) are the complete elliptic integrals of the first and second kinds respectively. n = 0. . . It then follows that (again in each case in leading order) '2_hl)9/4 ^ ^ * > l * = ° ^ 23g/S(_g:)t/4(!)g/4e-g/4 "1^Using Stirling's formula we can write this e ( 18 .1)]' Gfo. ..1 " e " O T (18 169) - Y-^-V / 4 tfo.1. n. which implies small G2.( 2V + l)ln V 4 / -4( 2 n + l ) l nV 2 n .2 A( L ) 4 s / and z dz yWKB\ J and d^WKBW 2=0 (*?) a ( .2. [4] misses an n—dependent power of 2 in the result..e T ^ 5 U W ( 2 „ ) i / 2 ( ^ i W4C • (18 170) (18 1?0) - ^The expansion of I2 used in Ref.§ Since the integral is to be positive (as required in the WKB solutions) we have to take the upper signs.165) in agreement with Ref. [167].) = 2 \.. /2n + l 2 ± — . The nontrivial expansions are derived in Example 5. ± .166 ) ^^-iffil/^(2*)1/affiii£ Correspondingly we find ^ (18-168) S W I 2 = o .18. . where the result is shown to be (with q ~ q0 = 2 n + l . Here we are interested in the behaviour of the integral in the domain of large /i 6 /c 2 .. ^ ^ . 1.r1)/10//2 ( f g 1^ yS» /L ( ^ ) l^4 .3 )l ! .± ' 3G 2 ' T ( ^ (18.

(i*™) We obtain the energy E(q. .175) ~E0(q0.143) with qo — 2n + l.n = 0.i ) ] ! e ~ s A ' . Thus our second condition in the present case of the double well potential turns out to be an identity which confirms our discussion at the beginning of Sec. 18.173).. . .3. Anharmonic Oscillator Potentials With these expressions we obtain now from Eqs. (18.106). we can therefore impose the boundary conditions at z = 0 by making in Eq. and obtain ( * .3 concerning the exponentials..143) the replacement: {hlY'2{2z+fe-^zl -+ 2 9 ( ^ y Z e"A. (18..h2) + (q-q0)^=. we obtain for E(q0.6 Eigenvalues and level splitting We now insert the replacement (18. we see that the relation is really an identity (the pre-exponential factors on the left and on the right being equal) with the exponential on the left being an approximation of the exponential on the right (which contains the full action of the instanton).^ W ^ / 4 t o .h2) and hence the splitting of asymptotically degenerate energy levels.172) A corrresponding relation holds for h+ and z+ replaced by /i_ and z-. (18. (18.. 18. (18. (18.424 CHAPTER 18. 2 .1.»-W. Expanding this around an odd integer qo we have ( 8E\ h? —J Inserting here the result (18. Inserting the expressions for h+ and z+ in terms of h.159) — on using once again the duplication formula in the same form as above — 2"/ 2 (2h% 1 V/2 7 Comparing this result with that of Eq. with the help of Eq.172) into Eq. h2) the split expressions 29o+1/i2(—W2 h6 (18.174) . (18. .3.157).

.n = 0.e. for finite h2.h2) / h 6 \ —K />6\n+l/2 q o / 2 2«>+2h2 — —^= m 1. the difference between the eigenenergies of even and odd states with (here) qo = 2n+l.h2)-E+(qQ.157). c 2 /2 <-> A — given as E0 = 4\ h(2fc) 1 / 2 o y J H q2 4/c > --^— + q ^ 2s c2 V2 .fr2) is given by Eq.106).^ e 21/^6c2 fe6 ( 1 mass mn = (1 8 .. The result (18.1 7 6 ) (2n+9)/4^/ft V7T«! V C / \ e-iI72^. (18. that without the use of Stirling's formula and so left in terms of e and nn) being this divided by the Furry factor f l / » : = \ . i. which evidently supplies some correction terms.174) and (18..178) "In S. 1 7 425 2 . the following expression for large q ~ 2n + 1.3 The Double Well Potential where £0(<7o.2.1.q2 7.V2^\ \n+ i . i n U n / ! Thus AE(q0.^ 2^ h* . the level splitting.h2) = E_(q0. Bhattacharya [23] the "usual WKB approximation" of this expression is — with replacements h4/4 <-» k. 1 u2 c 2 (3 9 2 + l) ^ « b . (18. can be given by In the work of Bhattacharya [23] the WKB level splitting is effectively (i.e.e.. in the WKB restricted sense) defined by ^( n +2^KB(0) 2 Here the derivative dE/dn corresponds to the usual oscillator frequency.e. K.143) with (18. the pure WKB result of Banerjee and Bhatnagar [14] (i. 2h4' i. .176) is described by Bhattacharya [23] as a "modified well and harried result AjfWB. i.7 =( e N n+1 .18.e.2 = 2 . T \ *n ! 1 ' (18. Combining Eqs.

176) together with Eq. A>0. In Chapter 26 we obtain in each case complete agreement of the path integral result with the perturbation theory result with the help of this factor. We see therefore. h4 and c2 replaced by 2E.** Had we taken the mass mo of the particle in the symmetric double well potential equal to 1 (instead of 1/2). The factor set equal to 1 represents a somewhat "mutilated" Stirling approximation. This. and harmonic oscillator frequency equal to 1 given by \/y/2~n and independent of n as explained by Furry [102] — see also Example 18. h = 1. h2)\mo=i = . . ** Comparing the present work with that of S.178).181) "W. The Furry factor represents effectively a correction factor to the normalization constants of WKB wave functions (which are normally for mo = 1/2.3)). we identity the parameter k there with ft. H. 2/z4 and 2c2 respectively (see Eq.h2 <> — h2.6 \9o/2 e~h&l^\ with (m 0 = l) (18.h2) * ^ 2 q o / ^ q l _ m ^ - (18-179) l~o o». Then the splitting A ^ W B of Eq. supplies the bridge to the perturbation theory results and removes the unnatural appearance of factors e and nn. as we do here. Furry [102]. K. (18.2X2 V(z) = --\z2-tL) . (18. the Furry factor corrected WKB result follows automatically. (66).4/4 here. (24) there is k 2 (i0n+i3)/4 //c3/2\n+1/2 V2fc3/2 6XP n\ ft \/nn\ in agreement with AE(q0.2 / 7.. these deriva> tions do not exploit the symmetry of the original equation under the interchanges q <> —q." Of course.180) h8 E0(qo. Bhattacharya [23]. (18.h )/2 2 2 ( — ' 3 6\/2c A h6 n+l/2 h6\ 2{2n+5)/if \ exp 2 \ c / of Eq. Anharmonic Oscillator Potentials which is unity for n — oo with Stirling's formula. Eq. as is also explained by Bhattacharya [23]. and A there with c 2 / 2 here. we would have obtained the result with E.^ 2 + ^h2 If in addition the potential is written in the form A / . (18.426 CHAPTER 18. that if this symmetry is taken into account from the very beginning.6) to yield an improvement of WKB results for small values of n. Then E^h2) and AE becomes 2^+U 2 (-^)W 2 h6 = Eo{q0. however.

7 General Remarks In the above we have attempted a fairly complete treatment of the largeh2 case of the quartic anharmonic oscillator. Miiller-Kirsten [186].15). ^To help the comparison note that in J. Mansour and H. Liang and H. The asymmetric case can presumably also be dealt with in a similar way since various references point out that the asymmetric case can be transformed into a symmetric one. (18. Jentschura [293]. P. (2. In principle one could also consider the case of small values of h2 and obtain convergent instead of asymptotic expansions. D. .88) h4 = 2/x2. (18. so that by comparison with Eq. Banerjee and S. W. the level splitting is (with h = 1) This result agrees with the ground state (go = 1) result of Gildener and Patrascioiu [110] using the path integral method for the evaluation of pseudoparticle (instanton) contributions. Miiller—Kirsten [167] the potential is written as V2 VW = \ for mo = 1.181) therefore implies the correspondence rj1 <-> A/2. See R. J. Jentschura [293]. however. D. J. Equation (18. Eqs.182) implies AlE(l.3 The Double Well Potential 427 a form frequently used in field theoretic applications. J. Gildener and A. Bhatnagar [14]. The comparison with Eq. Zinn-Justin and U.^ *See E.34) and (E. (18. K.c2 = A/2. §J.18. carried out along the lines of the corresponding calculations for the cosine potential and thus of the wellestablished Mathieu equation. formula (4. Lee [98].§ 18.3. first paper. H. and g2 is given as g2 = r]2/m3.11). 'This will become evident when the perturbation theory result of Chapter 17 is compared with the path integral result in Chapter 26.* A similar correspondence is also found in the case of the cosine potential. Friedberg and T. Patrasciociu [110]. M. We considered above only the symmetric twominima potential. m 2 <-• p 2 / 2 .W.—Q.h>) * 2V2^^|^y/2e-^3/3A. provided their result is multiplied by a factor of 2 resulting from a corresponding inclusion of anti-pseudoparticle (anti-instanton) contributions. these are presumably not of much interest in physics (for reasons explained in Chapter 20). Zinn-Justin and U.180) agrees similarly also with the result for arbitrary levels obtained with the use of periodic instantons* and with the results of multiinstanton methods.^ Thus for the case of the ground state Eq. M. D.

The wide publicity given to the work of Bender and Wu made pure mathematicians aware of the subject. Tables of properties of Special Functions are filled with such expansions derived from differential equations for all the wellknown and less wellknown Special Functions. [132] and Loeffel. like those for anharmonic oscillators. B.g. can be found in an article by Coleman [54]. Martin. The double well potential. As references in this direction. P. N. The ground state splitting of the symmetric double well potential has been considered in a countless number of investigations. Pradhan [182]. In fact. . and numerical studies are presented to support this claim J It will become clear in Chapter 20 — as is also demonstrated by the work of Bender and Wu [18]. Ashbaugh and Harrell [12] and Harrell [130]. Anharmonic Oscillator Potentials Every now and then literature appears which purports to overcome the allegedly ill-natured "divergent perturbation series" of the anharmonic oscillator problem. Sophisticated mathematics — like that of the extensive investigations of Turbiner [273] over several decades — seems to approach the problem from a different angle. A reasonable. There is no way to obtain the exponentially small (real or imaginary) nonperturbative contributions derived above with some convergent expansion. in his recent paper on simple uniform approximation of the logarithmic derivative of the ground state wave function of anharmonic oscillator potentials. mostly in connection with instantons. in principle its Schrodinger equation is an equation akin to equations like the Mathieu or modified Mathieu equations which lie outside the range of hypergeometric types.[131]. has also been the subject of numerous numerical studies. [19] — that the expansions considered above are asymptotic. though not exclusively numerical. as he discusses. since — as we shall see in Chapter 20 — these nonperturbative contributions are directly related to the large-order behaviour of the perturbation expansion and determine this as asymptotic. B. There is no reason to view the anharmonic oscillator differently. Simon and Wightman [178]. Santi and N. we cite papers of the Uppsala group of Froman and Froman [100]. Very illuminating discussions of double wells and periodic potentials.428 CHAPTER 18. though incomplete list of references in this direction has been given by Garg [105] beginning with the wellknown though nonexplicit (and hence not really useful) ground state formula in the book of Landau and Lifshitz [156]. for instance. Mahapatra. The immense amount of literature meanwhile accumulated for instance in the case of the Mathieu equation can indicate what else can be achieved along parallel lines in the case of special types of Schrodinger equations. Perturbation theoretical aspects are "See e. in both symmetric and asymmetric form. as some relevant references with their view we cite papers of Harrell and Simon [129].

. (18.191) Our next objective is the evaluation of the elliptic integrals E(k) and K(k) by expanding these in ascending powers of k' .3 The Double Well Potential 429 employed in papers of Banerjee and Bhatnagar [14].^ + • (18.u)1'2 = V2u{ 1 .184) Hence we obtain for G close to zero: 1-Gy^g l + Gy/2q~ and 1 . X +2 + ' ^ (18. (18. T h e r e f o r e it is convenient t o deal w i t h this here.186) (18.18.189) =2u- 2u2 (18.5: Evaluation of WKB exponential with elliptic integrals Show that (l + u)^2[E(k)-uK(k)}'.188) T h e following e x p r e s s i o n a p p e a r s f r e q u e n t l y in t h e e x p a n s i o n s of elliptic i n t e g r a l s . We have 4 ~k' 2u(l . Datta. Gutschick.G2q + --. fc ~ 1 . 2 a. which is assumed to be small. Thus k' and hence k' = v ^ ( l . k! (18. + (G 3G2 3^ + 2lnU 2 + i(2n + l)ln(f)+I(2n ~~ 3G 2 ' 2 l)ln(^±i q 2 1 ^ln q/ 4 2n + l (18.f + • • •) 2u\ . 1+ u : Gy/2q. Example 18.\G\ + • and 1-k2 =2Gv/2q-4. Wave functions of symmetric and asymmetric double well potentials have been considered in the following reference in which it is demonstrated that actual physical tunneling takes place only into those states which have significant overlap with the false vacuum eigenfunction: Nieto. [122] as 13 1.192) 'F 12 16 . Cooper and Strottman [221].185) (1 + u)^2 = (1 + GVW/2 = 1 + GJ±.190) Hence ln|-]=ln : l n ' 7 2 ^ + 2 (18. Srivastava and Varma [24] and Bhatacharya and Rau [23]. Biswas. We obtain the expansions from Ref.2G^2q + 4G2q .183) S o l u t i o n : We have k2=1-^. q ~ 2n + 1./4 E{k) = 1 + • l n In (18. Bender. Saxena.187) We now reexpress various quantities in terms of u.

195) With (18.3 « .a = (l-«)(j-l 2u/ 2 ) .u){24 . 4 \ u In —= I + V W 2 1 + ln x(l -u) 31/ +-.u){24 . 1 3 « 2 = .2)1 4 uA"(fc) In ( ^ = ) ^{«(1 .u) + 2} + i u ( u .3u(6u .u) 2 {24 .{ M 2 ( 1 .u) + 2u} + i u 2 [ 2 + (1 .4. (18.u)} + — u ( u .3).u ( l .1)(1 .u)(u .u ) (^){« + 5^ 1 -)} + 5.«) + 2} + V [ .u)} .u) 2 {8 .1)(1 . up to and including u2): u(u .u)} u{u(l . 8 .13)} + ±u3(u .3) .3 u ( l .13)} + 12u 3 (u ..3) 1 + In ^ .3u(6u .1)(1 .6 in the denominator and in the last step pick out the lowest order terms in u (i.194) and (18.193) 2u(l .2{«(1 . 8 + 9u 2 .e.196) Now consider the last line here without the factor 2.3) .u){24 .430 and CHAPTER 18. ) J 4 (18.u) + -uf\ 2 + ju2(l 16 + -(u- W 2 12 4u2(l-u)2 + - l ) u ( l .3 y .u){4 + 3u(l .13)}.6w2 + 13u} + 12u 3 (« . .3u(6u .1)(1 .— ) .13)} + ~u3(u .194) ln '^J + 2 In i/2u )+H l + 2u(l .3u(6« .u 3 ( u .{l u ( l -u) / W 2 + 2} .3 . (18.u) + 2}] 1 H 1 o u(u .u ( l .« ) ^ { 2 4 .u) x2 2/1 u2(l-u)2 H K 42l We can rewrite this as — Analogously we have uK(k) 6J ' — {4 + 3u(l .3) = = ~ . 8 + 6 u 2 .195) we obtain E(k) 1 + ln uK(k) . (18.3 u .« 2 + 3u] In [ . Anharmonic Oscillator Potentials *« = M £ H Consider first E(k): E{k) = 1 + .197) .18u 2 + 39M} + 12u 3 (u .^ L ) H[(i _ U ){4 + 3u(l .u 13 \ 1 ln(± k> fc'2 + - (18.

(18.4u . ' 8G 2 q = 4 2 q ln f 26/2 \ o .«){4 + 3u(l .2{w(l -u) + 2}] = u(3u2 .173) t o be evaluated. (18.4u .195) with (18. i.e.uK(fe) ~ 1 + In I — = M-u2(3u. .e. we obtain: h ^ —^ 1 + 3G 2 V 2 8 2 /„ u 1 . Inserting here from the above expansions the contributions up to and including those of order u2.128) and (18.148) (for particle mass 1/2 and in dominant order) is given by H.2 (18.2 l_ln(1 JL\ V -{2. V^LJ 4 2 16 ^ . we have.-u H I .18. this becomes _2 2 u 2 / j M 2 / 3^2s 2 ~ 3G 2 2G2 H \ / 2 H / ..J? dz^\E -V(z)\ \ 87T2 / lE-Vtz)]1/4 Solution: From Eqs. / to + 3GH~ \ 8 .200) Remembering that u = Gy/2q. where w±(z) — h±(z — z±).] in (18. i.2 /o 2 431 (18... From (18.3) .198) 9 «. l2 = ^ ( l + uf/2[E(k)-uK(k)}. [(1 .3). (18.196) and (18.199) We now return t o the expression on the left of Eq. + iu^Zu2)^~u+ — +0(u3) l .it)} .zo) HWKB normalized _ ( h* y^eM. 2 . Eqs. VB(z) = -y\hTB(z) with VB(Z) ~ Bq[w±(z? - ^ [±(q - J l)}\2-^-V . (18 201) = Thus 3ffl-« (2i/aGi/a2i/V/V"4 3ffl-2 (Gii7»J-4- - '• .197) we now obtain 4 1 • E(fc) .3 The Double Well Potential Now consider the bracket [.^HfH-GH Example 18.155)) <*VA{Z) = VB{Z) a n d VWKB(Z) = 1VA{Z). (18.128) and (18.6: Normalization of WKB solutions Show that the normalized form of the WKB solution (18.156a) we obtain a and 7 and hence the ratio (always in the dominant order) T2~ ) w i t h h += ^ h • Since (cf.196).

143).e.7: Recalculation of tunneling deviation using W K B solutions Determine the tunneling deviation q — go of q from an odd integer go. i. Solution: The turning points at zo and z\ on either side of the minimum at 24.146) and (18. W. y±(z) = -IVA(Z) ± yA(z)\ = — i M O O ± 1 Ji.158). 93. Then ((r.l)]![i(0 . zo) meaning t o the right of ZQ and note the asymmetric factor of 2) -1-1/4 y±(z) ^ W K B (z) ± ^ = % K B ( Z ) : \qh\ 1/2 \h\U{z) ±— cos 7 **See e. (18. and obtained as Eq. we obtain (for q reasonably large) 1 |(9-1) and hence J-oo Hence with h+/V4n = (h4/Sn2)1^ W2TT SI {[Uq-IWH"-1)}2 2TT h2+\1/2 ~VWKB \ ~^T f 4^ \V4ir ^g^ J VWKB . 82. normalized - V4exp[ ~ f*° dz\/\E~ \E-V(z)\V* V z () With / i 4 / 4 = m 2 and mass 1 (instead of 1/2) the result is ' m2 \ 1'4 e x p [ . pp.147)./ . (18.3)]!23<«-D [5(9-1)]' >A.** oo / dwD\. by using the periodic WKB solutions below the turning points.35)). We start from Eq. are given by Eqs. (18.204) . normalized = We see that the normalization constant is independent of a quantum number. -oo . 1 7(l. Eq.hA/2 = h^/4 this implies . Anharmonic Oscillator Potentials With the standard normalization of parabolic cylinder functions.Aw) = s/2i 2("-!) V (4-1) and [|(9 . Example 18.e. Oberhettinger [181]. The constant obtained here will arise in Chapter 26 in the evaluation of the normalization constant of the WKB wave function (cf.203) Different from above we now continue the solutions (in the sense of linearly matched W K B solutions) across the turning point at zo in the direction of the minimum of the potential at z+.*o)/ ^WWKBOO- (18. (18. (26.f hi\ VWKB. i. ° \Edzy/\E-V(z) V(z)|V4 VWKB.zo).432 CHAPTER 18. Magnus and F.g.

JV = 1.206) !/2 ' + J*+dz(^qh2+-±h%U(z) 1/2 7T' 4 1 =p — sin 7 f*+dz(^qh%-h\U(z) ^ TV + 4 (18.J^Wj +(18.. i. of course.( .Jz0 sin ^o J LJzo 4 Jzo 2 y •••-4-y ••• = .e. from ZQ.-r + ^=co S [r. We could.211) 7 z l . z{) we expect tt (18.V(z) = r J zo I ZQ dz[\qh\ \ Z -h%U(z) (27V + 1 ) .6.i ) N c o s / •••+! provided the Bohr-Sommerfeld-Wilson fZ1 dz^/E J zn quantization 4 condition holds. from z\.-^-r + + . approach the minimum also from the right.g.e.2. Sec..205) We now apply the boundary conditions (18.208) and cot L />G + 1/2 ^(ig4-^+^))"" + J 1/2 2qh%--h%U{z)\ 27 + - :±- (18. \h\U{z) 1/2 . A.133) at the minimum z+ and obtain the conditions: 0 = — sin 7 and 0 = — cos 7 Hence £ + 1/2 dz(±qh\-\h%U{z) 4_ ± — cos 7 />G^ 2 2 +-i4c/(z)) 4 (18. (18.207) (18.18.g. this implies sin cos sin cos Thus e.iK -h\U{z) + -/ 4 (18. Messiah [195]..209) "27 In the present considerations we approach the minimum of the potential at z+ by coming from the left. Then at any point z € (zo..3. i. 6. i.e. ^(7(z) r t J z0 •I Zi I V2 dz \qh\ 1. 7T\ + -^ 4 7r\ dz -.2..210) Choosing the point z to be z+.212) tt See e. 1/2 ..132) and (18. .3 The Double Well Potential We also note that d dz 433 y±{z) >2+ 1 -F = 7 sln -h%U(z) 1/4 f X —2 cos 7 2 2^ + 1 \ 1 / 2 71 .

90 — =F— for q0 = 1._ £/>(£-<•->•) tan{(g + l Since tan ) ^ ^ . and cot< (q + 1) '!}-» for q = 50 = 1. Landau and E. W "Cf.216) Inserting this into Eq. (18.. i.X+-+4 7T We rewrite the quantization condition in the present context and in view of the symmetry of the potential in the immediate vicinity of z+ as r J z0 1/2 dz qh [\ +-\h+u^ \ 1/2 •K (18. In Eq.434 CHAPTER 18.215) we can insert for 7 / 7 the expression given by Eqs. they become c o t { ( . .3. Bhattacharya [23]. Banerjee and S.e. .146)). K. The formula thus agrees with that in the literature.215) which results from the factor of 2 in front of the sine in the WKB formula (18. We now see that Eqs. 7 .210) assume a form as in our perturbation theory. One may note that the exponential factor here is not squared as in decay probabilities (squares of transmission coefficients). ' /^i . 5.217) exp ( V [ ° dz^/-E J-ZQ + V{z) This expression represents the WKB result for the level splitting and may therefore be called the WKB level splitting formula.205). K. (18.215). .2 . 1 1 . + l ) j } ^ 1_ 27' (18. P. Anharmonic Oscillator Potentials Similarly under the same condition (-l)Jvsin J Zn where it is understood that qh2/2 ~ Ey(z±).148) and (18. D.Zi / r. (18. (18. We note here incidentally that this agreement demonstrates the significance of the factor of 2 in (18. in fact (with our use of qo).143). 2Sm (2 g /ft2)i/2 in agreement with the right hand side (the last step following from Eq. The latter give 7 7 1/2 exp dz dz \qh\ \qh\ + + \h%U{z) 1/2 exp I — / \h%U(z) (18. .215) we can expand the left hand sides about these points and thus obtain .exp ( \/2h2T V2 7r 7 dz l / -qh\ + \h\U{z) (18.214) {«+"i} 0 for q = go = 3.213) The integral on the left can be approximated by 1. M. where u> is the oscillator frequency of the wells. (18..149).5. the level splitting is given by AE(q0. Bhatnagar [14].27 9 .h2) = = h2 h2 1 -y 1/2 2{E-Eo)=2^{q~q0)=2^±l V2 V2h2 . 2IO/-K. The prefactor 2\/2h2/n is. (18. S. 9. 7r"y in agreement with Eq.209) and (18. and L. Lifshitz [156]. (18.

1 Introductory Remarks Singular potentials have mostly been discarded in studies of quantum mechanics in view of their unboundedness from below and consequently the nonexistence of a ground state. 435 . in an early investigation Case^ showed that potentials of the form r~~n. However. W. Some decades ago — before the discovery of W and Z mesons which mediate weak interactions — and before the advent of quantum chromodynamics.* However. Case [45]. H. The centrifugal potential oc r~2 is generally considered as exceptional and is treated in detail in wellknown texts on quantum mechanics. J. there is no need to have only field 'Generally a potential more singular than the centrifugal term in the (3 + l)-dimensional Schrodinger equation is described as singular. f K . M. n > 2. In particular Case pointed out that for a repulsive singular potential the study of scattering is mathematically well-defined and useful. Giittinger and H. Morse and H. W. Nonetheless it was thought that a certain formal analogy could be seen if the field theory is supplied with Euclidean spacetime concepts at the expense of sacrificing the interpretation of the interaction in terms of particle exchange.* The physical analogy between singular field theoretic interactions and singular potential scattering of course breaks down at short distances. M. the investigation of singular potentials in nonrelativistic quantum theory was motivated by a desire to obtain a better understanding of the (then presumed) singular nature of the nonrenormalizable weak quantum field theory interaction. Aly. Feshbach [198].Chapter 19 Singular Potentials 19. are not as troublesome as one might expect. also in P. 'For a review from this perspective with numerous references see H. since no probabilistic interpretation is available for the field theory matrix elements in virtue of creation and annihilation processes during the interaction. Miiller-Kirsten [9].

J. N. J.e. our presentation below is deliberately made elementary and detailed so that the reader does not shun away from it. Callan and J. W. Manvelyan. roughly speaking a brane is the higher dimensional equivalent of a membrane visualized in two dimensions from which the DS brane derives its name. Singular Potentials theories in mind. Miiller-Kirsten. Miiller-Kirsten and Jian-zu Zhang [226]. D referring to Dirichlet boundary conditions) in 10-dimensional string theory.2.1 T h e P o t e n t i a l 1/r 4 — Case of Small h2 Preliminary considerations We consider in three space dimensions first the repulsive potential V(r) = 4 - (19-1) The radial Schrodinger equation with this potential may then be written 2 z y + k W + l) 92 V = 0. for instance. this particular singular potential plays an exceptional role in view of its relation to the Mathieu equation. G. Liang and Yunbo Zhang [189]. In the concluding section we refer to additional related literature and applications. Park. that with the hyperbolic cosine replacing the trigonometric cosine). Singular potentials arise in various other contexts. R. It is therefore natural that we study this case here in detail. This property singles this case out from many others and attributes it the role of one of very few explicitly solvable cases. .2 19. W. 19. (19. K. S. Maldacena [41]. H. Hashimoto [124]. We shall see that not only can the radial Schrodinger equation be related to the modified or associated Mathieu equation (i. § There one could visualize this scattering off the spherically symmetric potential as a spacetime curvature effect or — with black hole event horizon zero — as that of a potential barrier surrounding the horizon (shrunk to zero at the origin). the attractive singular potential 1/r4 was found to arise in the study of fluctuations about a "brane" (the D3 brane. In view of the unavoidable use of Mathieu functions expanded in series of Special Functions. S.436 CHAPTER 19. which are always worth studying in view of the insight they provide into a typical case and the didactic value they possess for this reason. Tamaryan. but also that the S-matrix can be calculated explicitly in both the weak and strong coupling domains. Gubser and A. D. This chapter therefore gives the first complete solution of a Schrodinger equation with a highly singular potential. S.2) § C . some also permitting further research. Recently. In fact. H. J.-Q.

8. and as we have in mind in Sec. It is clear that we draw analogies to our earlier considerations of the periodic potential. H.4) first for small values of h2 and then for large values of h2. h = ei^y/k^.7 that we employed also in previous chapters.( I + 0. Thus we can expect to find solutions very similar to those of the periodic case (with — for instance — cos replaced by cosh) and with the parameter v given by the expansions we obtained previously. We begin with the derivation of various types of weak-coupling or smallh2 solutions which we construct again perturbatively. This has advantages compared with higher dimensional cases. Miiller-Kirsten. Eq. R. ig h \j g (19. It may be noticed that since I is an integer. J. This is rarely possible and therefore this case deserves particular attention. J.g. (19. In the following we study the solutions of Eq. using the method of Dingle and Miiller of Sec.3a) In the case of the attractive potential (as in the string theory context referred to above.3 below) g2 is negative and hence h? is real for E > 0. The following substitutions are advantageous: y = r1/2cf>.4) dz2 + In the literature this equation is known as the modified Mathieu equation or associated Mathieu equation.^ where \f\ can be an integer and thus leads to singularities in the expansion of v (see e.3b) 7 = % j-. Our ultimate aim is the derivation of the /S-matrix for scattering off the singular 1/r4 potential. [l+2) ~ * A> ~ the equation converts into the periodic Mathieu equation of Chapter 17. We observe that with the replacements p2 z^iz. W. 19. The radial Schrodinger equation then assumes the form 2h2 cosh 2z . Manvelyan. \[\ in the correspondence is nonintegral. (19. Subsequently we derive the same 5-matrix from the consideration of largeh expansions and calculate the absorptivity in the case of the attractive potential. h2 = ikg. (19. r = 7 e z .28) below). (19.mo = 1/2 and h = c = 1. . Liang and Yunbo Zhang [189].2 The Potential 1/r4 — Case of Small h2 437 where E = k2.19. and so -=4 5 and n ez = -r = ~ = e-^4fir.-Q.

g) This equation is wellknown as Bessel's equation or as the equation of cylindrical functions. w 2 .11) We follow here largely H. dwA w dw { wA ) (lg. H.2 CHAPTER 19. Proceeding along the lines of the perturbation method of Sec. Neumann or Bessel function of the second kind and Hankel functions of the first and second kinds respectively.I .1.4) becomes dw2 w2 w2 \ dw2 w dw \ j Next we define a parameter v by the relation V2 v2 = (/ + .2. First we make the additional substitution w = 2/icosh z. (19. (19.6) terms amounting to 1 „ 2 d2Zu A V (19. J. (19.10) i # > = 2h2 2]^v ~r 2 7 2 ~r 2<\^v o o w w dw w Using the recurrence relations of cylindrical functions. (19.438 19. where these are the Bessel function of the first kind. where £>„ : = —_ + i _ + J l .Nv(w). Eq.9) leaves uncompensated on the right hand side of Eq. —Zu — -(Z„_i + Zu+i).^% dw1 1 1 —— = dw = ][Zv-2-2Zv 4 w Zv + Zv-\ = -(Zv-\ 2 + Zv+2]. and H„ (w).-. H. (19.2 A / i 2 . i. — Zv+i). (19.Hv (w). Aly. Vahedi-Faridi [10].5) so that Eq.6) becomes to zeroth order </>(°) = <j>v of <f> in h2 Dvcf)v = 0.7) We shall see that this parameter is given by the same expansion as in the case of the periodic equation. 8.e. Singular Potentials Small h2 solutions in t e r m s of B e s s e l functions We now develop a perturbative procedure" for solving the associated Mathieu equation in the domain around h2 = 0.i l . . Muller-Kirsten and N. W. The zeroth-order approximation = Zv[w) (19. The solutions Zv(w) are written Jv(w).7.

can be cancelled out by adding to </>(°) the new contribution liZu+aja{2v + a) except. wz The expression (19.21) +(i/. of course.12) (19.2)G„_ 2 + (y. (19. v . We assume in the following that 2u + a ^ 0 (the case of 0 has to be treated separately).16) ( I / . therefore 4>^ leaves uncompensated i#> = / i 2 [ ( i / ^ .i/) = 2A. v + 2)*(v + 2._2 + {v.i/-4)*Z 1 / _ 4 +(u. Du+aZu+a but Dv+a — Dv so that DuZv+a = a(2l/ (19.2 The Potential 1/r4 — Case of Small h? 439 we can rewrite the expression (19. (19.6). (i/. when a or 2v + a = 0.!/+ 2)*4°J 2 ].u + 4fZu+A}. v)Gv + (y.17) Thus a term fiGu+a on the right hand side of Eq.2.14) (19. v + 2)*Z„ +2 (19.2 ) * ( z / .2 ) * i ^ 2 + (!/.v + 2)*{u + 2.13) (19.13) therefore lead to the first order contribution jfU = h2[{v. where the starred coefficients are defined by (19. .18) Now </>(°) = Zv left uncompensated Rv . and this means in (19. where We observe that DUZV = Q. I / ± 2 ) = 1. .13).19. However. = §.2)*Zi. The terms (19.10) is now particularly simple: i?i°) = h2[(v. it is more convenient to use these relations in order to rewrite Eq. (19..u + 2)*Z„ +2 ]. v + 2)Gv+2].u- (19. ~a(2v + a)~ w2 * a> Zv+a = a(2u + a)Gv+a.10) as a linear combination of various Zv. z . v .15) (19. The next contribution to (^°) + t^1) therefore becomes 0(2) = /i4[(z. v-2)*{y-2.10) in terms of functions G„ defined by Gv+a = —nZ v+a .20) 2)*ZV_2 + {y.

+ 2(y2-\) — + 32(i/ 2 -l) 3 (^ 2 -4) —^ (9. subject to the boundary conditions P2i(2j) = 0 for | j | > i.25) Finally we have to consider the terms in Gv which were left unaccounted for in Rv .g. ^ 64(a_1)5(a_4)4(a_9) + 0 ^ )• (19-28) 1 6 . . Reversing the expansion and setting a = (I + 1/2) 2 (not to be confused with a e. (19. .26) iy — 2. Zv + Y^h2i i=l J2 p2i{2j)Zv+2j. i/ ± 2)*.17)).440 CHAPTER 19. . . Ri.i/±2)*.25)/i 8 32(a-l)3(a-4) . (19.v) + {v. v + 2j) (19.2 + 2 9 ) ^ 64(^ 2 . v — 2)*(v — 2.v + 2y{v + 2.22) where p2(±2) p4(±4) = = (i/.j^0 (19. and p 0 ( 2 j ^ 0) = 0. i/ + 2j) + p 2 i _ 2 ( 2 j ) ( ^ + 2j.23) These coefficients may also b e obtained from t h e recurrence relation P2i(2j) = p2i-2(2j .I/±4)*. Singular Potentials Proceeding in this manner we obtain the solution ^ = 0(0) + 0 (1) + ^(2) + .. v ( 4 5 a .9) 16 + + ^ j " liy '2° This expansion is seen t o b e familiar from t h e theory of periodic Mathieu functions where (Z + l / 2 ) 2 represents the eigenvalue. i/)] + • • • .2. 1 1 \ 2 + 2) ~ -) s X 2 A = v 2 hA (5v2 + 7)h8 v .I/±2)*(I/±2.v)] (19.v-2)*{v-2. p4(±2) = (i/. . we obtain 9 h4 = a 2(a-l) 3 2 (13a . v + 2)*{v + 2.v + 2)*(i/ + 2.v) + hA[{v. Evaluating t h e first few terms.1169)/i 12 . etc. . i/ ± 2)* (i/ ± 2.l)(z/ 2 .24) P2i-2(2j + 2){v + 2j + 2. P2*o(0) = 0. v) +(i/. j=-i. we obtain t h e expansion . we obtain 0 = h2{v. in Eq. .4)(»/2 . p 0 (0) = 1. i/ + 2j).4 + 58.2)(v + 2j . (I/.455a + 1291a . Adding these terms and setting the coefficient of Gv equal t o zero. (19.

£>„ = — .2. Substituting (19.^ + e±(-v~2)z. (19. 2 .h2[(j)u+2 + 4>v_2] h2 [{u. (19. Thus to O(0) in h we have (jr ' = 4>v — cosh vz.32) (19. (19.19. = 0.v2(j> = 2/i 2 (A . Thus v is real for small values of | h21. we may say that the first approximation <^°) leaves uncompensated terms amounting to R^ = 2ft2 (A .31) It follows that Dv+2n4>v+2n = 0. The solutions 4> of the modified Mathieu equation are now completely determined. We are still left with the question of what will happen if 2v + a = 0 or v — ± 1 .4).33) = = cosh(^ + 2)z + cosh(^ — 2)z.3 Small h2 solutions in t e r m s of hyperbolic functions For later purposes we require yet another type of solutions.An(u + n). ±2.i .2)<t>„-2 + (v.29) sinh vz or e±uz. and is therefore real for both cases g2 > 0 and g2 < 0. ±{ v+ z e = sinh(v + 2)z + sinh(z/ — 2)z. (19.2 The Potential 1/r4 — Case of Small h? 441 We note that this is an expansion in ascending powers of h4. v)(f>v + {v. — We return to this question later but mention here that this problem has already been dealt with in Chapter 17.7) into Eq.30) £>„&. apart from a normalization factor which we have chosen (so far) such that the coefficient of Zu in <f) is 1. so that J2 (19. . 19.34) .v + 2)<t>v+2]. we can rewrite the latter as j ~ . v .cosh 2z)4>.cosh 2z)4>v = = 2h2A(/>„ . Du+2n so that D„(j)v+2n = ^n(u + n)<\>v+2nSince 2 cosh 2z cosh vz 2 cosh 2z sinh vz 2 cosh 2z e ±vz = Dv . (19.

(19.J7t0 p2i(2j)<f>u+2j.1 .37) where p M (±2) = (I/. Singular Potentials (I/. 19.I/) = 2 A .h2i *=1 J2 j=-i. v ± 2) etc.35) The form of i ? ^ is seen to be almost identical with that of the corresponding expression for solutions in terms of cylindrical functions.2. In particular the following notation is used for the solutions obtained above which we characterize here by their first terms: <f> with (j>v — cosh vz —• Ceu(z. 8. CHAPTER 19.4 Notation and properties of solutions We now introduce standard notation as in established literature.442 where (I/. Meixner and F. Denning (19 36) (">" + <*) =o^7Ta)> we now have the solution - p(z. For rigorous convergence and validity discussions of any of these solutions — our's here differ only in the method of derivation with the perturbation method of Sec. The use of the symbols (v. .h). W. in the present context should not be confused with the same symbols having a different meaning in the case of solutions in terms of cylindrical functions since it is generally clear which type of solutions and hence coefficients is being considered. The solutions in terms of cylindrical functions are written *J. F. • (19. > (f> with </v = sinh vz — Seu(z.h) = <(>„ +Y. In order to avoid confusion arising from the use of different equations. M. (19.7 — we refer to Meixner and Schafke [193].h).J/±2) = . we prefer to adhere to one equation with different solutions.* The solutions of the modified Mathieu equation which we are considering here are written with a first capital letter. In fact we could have obtained the same Ru by starting with the modified Mathieu equation for h2 replaced by — h2. etc. Schafke [193].38) (f> with (\>v = exp(vz) — Meu(z.I/±2)*. > These solutions correspond in the periodic case respectively to the solutions and me^. Arscott [11].h).

h)±Sey{z. h) = av{h)M^ (z. introduces the dominant order function into higher order contributions''' — oo i 2i Meu(z. this normalized solution possesses contributions exp(i/z) in higher order terms.h). (19. see this reference p. (19. i.42). Also from the expansion of Jv{z) in rising powers of z. Mi. Meixner and F. (19.g. as Mev{z.43) and hence similarly M^\z + inir. Oberhettinger [181].42) The solutions Meu(z. (19.44) (19. As emphasized in Chapter 8.h). (19. which.40) Cev{z.40) does not.h) and oo i M^\z. h). Me„(z. h).45) T Below we frequently write the normalized solution as in J. i.2 The Potential 1/r4 — Case of Small h? similarly: <fi 4> <f> (p with with with with <j>v = J v (2/icosh z) . h) = exp(inwn)MP(z.h2) oo = Y. 4>v = Hi. <f)v = N„(2hcosh z) MJ?\z.19.h).(2hcosh z). 4>v = Hv (2h cosh 2) * M^\z. Magnus and F.h). 17.e. — oo cv2r{h2)e^+2r>. For the relation of Hankel functions used below.h) = exp(vz) + Y. p. W. h) are therefore proportional to each other as a comparison of Eqs. whereas the — as yet — unnormalized solution (19. 443 (19.41) i=l We see immediately that Meu(z + niri. h). Schafke [193]. h).44) implies. h) = exp{vniri)Me„(z. (19. ' (z. we obtain$ Ju(2hcosh(z + inir)) — Jl/(2hcosh z exp(m7r)) — exp(inuTr)Jv. .h) = Jv{2hcosh z) + ^h 2i J^ j=-iJjLQ p2i(2j)Ju+2j(2hcosh z). 'See e.h = £ p2i(2j)(-l)j exp[(^ + 2j)z] (19. 16. {2h cosh z) • MJ?\z.39) Writing two solutions out explicitly we have for example — apart from an overall normalization constant. as we remarked earlier.MP(z. W.e.

2M™ = eiuvMi3) + e~ivlrM^\ .48) The series expansions of the associated Mathieu functions M„ (z.h2) = ] T cv2r(h2)e{y+2r)z. p. (19. As mentioned earlier.43). For later essential requirements (i.e.h) .46) H^z) = e^H^(z). s (19. i. The functions Me±v{z. Meixner and Schafke [193]. oiv{h) = (19. we use the notation of Meixner and Schafke [193] and so write the expansion of the function Mev(z.47) With this equation we obtain for nonintegral values of i/:§ ±isin WK MJ)3A\z. Meixner and Schafke [193].4) we obtain oo £ r=—oo [(i/ + 2r) 2 4. we have the following for a change from v to — v.h2): oo Mev(z.h) on the other hand can be shown (cf.8. the explicit evaluation of the S'matrix element) we elaborate here a little on the computation of coefficients of normalized Mathieu functions. the first relation is obtained as follows: 2M<£1 = M^l+M^l. 178) to be convergent for | cosh z\ > 1 but uniformly convergent only when | cosh z\ > 1 for otherwise complex values of z.g. Equating the coefficients to zero we obtain [-{y + 2r)2 + \]cv2r = h2(cv2r+2 + c£ r _ 2 ). h). ^ . p. .49) Inserting this expansion into the modified Mathieu equation (19. MJ>>(0.444 CHAPTER 19.50) E.exp(TM"r)MW(. 4) = exp(±^7r)i\4 3 ' 4 \ M^3'4) = M™ ± iMJ?\ (19. h) . These points are important in our derivation of the S'-matrix below. h) = M™(z.e. H™(z) = e-^HfXz). Singular Potentials where clearly MeJQ. i. Mi 3 . r=—oo (19.h) can be shown (cf. 130) to converge uniformly for all finite complex values of z.\c\r + h2(c^2 + 4 r + 2 ) ] e ^ + 2 ^ = 0.h) Using further properties like (19.e.

eg = c~v = 1./ i 2 C ^ .^ + 2r + 2 ) 2 ] .54) 2 C2r 4 ^ h.(/^. see J.(v + 2r)2} / z . (39). 122. \) /. 117.51) we have -2r (19. 2r (19>51) 2r For ease of reading we give the steps in rewriting this.^ p 2 2 ^ or c 2r+2 2r-2 1 (19. Meixner and F. h~2[\ . + 2 r ) 2 ] .2 The Potential 1/r4 — Case of Small h? which we can rewrite as fc2^±2 c 445 = [A _ („ + 2r) 2 ] . p.* For 'Actually.52) in agreement with Meixner and Schafke [193]. .[X-(u 2 + 2r-2) } " c 2r-2 This continued fraction equation can again be used to obtain the explicit expressions of coefficients of normalized modified Mathieu functions. . + o2„r 2 l2 ] - C 2r 1 -2r c 2r-2 or 1 c J =^[A-(.^ C 2r+2 (19. Thus now c 2r . Schafke [193]. p.^ c 2r 2r 2T~2 or -2r ^-2 /l-2[A_(I/ + 2r)2]-£2l± 2 .19. (19. Eq. Alternatively taking the inverse of Eq.2 [ A .53) /i-2[A-(^ + 2 r ) ] .T22r[\ A . \ . W.

Here we insert for A the expansion (19.446 CHAPTER 19.55). t For this purpose *We do this in the manner of the original derivation of R.52) and obtain c% 1 eg fc-"[A-fr + 2)»)-h_a[A_(.. Manvelyan. + 0(/. Vahedi-Faridi [10] (this paper contains several misprints which we correct here). J._{u+m h2 M ( " + D + 55^iy] + i ^ 5 j /i 2 4(..8 ^^> 1 hi(v2+4i>+7) 32(^+2)(i/-l)(^+l)2 4 ( i / + 1) /l 2 4 ( i / + 1) which is the result expected. and also R. Solution: We put r = 1 in Eq. .C + l) 3 (i/ . W. 128(i/+ l) 2 (i/ + 2 ) ( ! / . Then di 2 1 t" + 2(^1) + • • • . + i).27) and truncate the continued fraction after the second step.l ) 19. but follow our earlier reference H. i/2 + 41/ + 7 7i6 + 0 ( / i 1 0 ) . W. H. Spector [257].1: Evaluation of a coefficient Evaluate explicitly the first few terms of the coefficient Cj/cfJ given in Eq. J .+4)!ll_.12) ^ 384(^ + l)(z/ + 2)(z/ + 3) | " ^rW^hy.Q .[v^. J.^ ^ + 2)(i/ + o> l)(i/ 3) 0(^10).1 for the evaluation of a typical case): hb + 0(hw).( " + 2)2] ~ h2 h-. Singular Potentials nonintegral values of v examples obtained in this way are (see Example 19. (19. H. H. .5 D e r i v a t i o n of t h e S . Miiller-Kirsten.2.m a t r i x Our next step is the derivation of the explicit form of the ^-matrix for scattering off the potential 1/r 4 since this is possibly the only singular potential permitting such a derivation in terms of known functions. Miiller-Kirsten and N. M. (19.55 ' Example 19. Aly. Liang and Yunbo Zhang [189].+0^">- < 19 . 8 4 ( i / + 1) 128(i/ + l)2(v + 2)(v-l) + 5 10 32(i/ + ^ l)(i/ + 2) + 768(^ „„ .

(19. and then the continuation of this to infinity. Oberhettinger [181]. W . .h) 1/2 w) (19. Then y reg = = r rV2M®(z.19. and considering the propagation of this wave-front. The time-dependent wave function with this asymptotic behaviour is proportional to (here with ui — k) —iuit—g/r+iTr/4 Fixing the wave-front by setting <p = —lot + ig/r + TT/4 = const.5) w — 2h cosh z = [ kr -\ r Thus r —> 0 implies \w\ —> oo.2 The Potential 1/r4 — Case of Small h2 447 we require first the regular solution yreg of the radial Schrodinger equation at the origin.3a) and (19. The asymptotic behaviour of the Hankel functions H„ ' (w) for \w\ ^> \u\.58) The behaviour of y reg near r sa 0 is therefore given by 2 1/2 2/reg "\ 5 exp 1\TT r\ —r- exp i . 2 ) 2 1/2 ex Z/7T IT H=i —J TTW P l+O 10 (19.j7L0 P2i(2j)exp -i[v + 2j + 2 2 . \w\ S> 1 and — IT < arg w < IT is known to be given by* (19.56) where by Eqs.59) which tends to zero with r. (19. 22. Magnus and F. I / + 2 2 l\TT +E ^ i-\ E j=-i. we have W r = ip + ut — 7r/4' . We obtain the regular solution by choosing Zv(w) = H„ (w) for 5ft(z) < 0.. In the case of the repulsive singular potential here. p. this wave function near the origin is the wave transmitted into this region (as distinct from the reflected and ingoing waves).57) ^ 1 .

^ 1 ) (e i 7 r z) = -Hi2!>(2) e-^H^iz). Oberhettinger [181]. '-2-"4 .57) the condition | cosh z\ > 1 implies I cosh z\ kr + ig/r >1.3b) ln • 7T Q"*4' r fg ° Vk- (19.62) Also with Eq.h) can be shown (cf.60) Using the above asymptotic expressions for the Hankel functions. p. 17.(2j)<gH • (19. but uniformly convergent only when | cosh z\ > 1 for otherwise complex values of z. Singular Potentials so that when t — oo : r — 0. p. This means that the origin of coordinates acts • > as a sink.61) In fact.h) oo j 2 — rV flp^ + ^fc* £ i=l j=-i.448 CHAPTER 19. AV . In a similar manner we can define solutions y± by setting for 9fJ(z) > 0: y± = rl'2Ml?>*>(z.h) = -exp(-Mr^)il4 4 ) (z.j^Q p2./i). 178) to be convergent for | cosh z\ > 1. h) through the entire range of !&{z).#. (19.V + § 9 -2 > 4hh* . 4%r g >0 4r^r ' rg See W.A1-4A.A1"—2 z '+"2 A~~ n or rA . The series M^ (z. Magnus and F. '(z. 2h and the square of this expression implies 2 2 ~ ' A. we can derive y_ from y+ since one can show from the circuit relations of Hankel functions^ that M^\z + m. We now require the continuation of the regular solution y reg to solutions behaving like y± at r — oo. .3a) and (19.j¥=o Ki(2j)exp(Tmj) (19. We require therefore > > the continuation of Mi./l ~ 2 ~ 2z + " 4 > 0. these solutions are seen to have the desired asymptotic behaviour for r —• oo: » 1/2 y± e±ikr e x p ml 1 nk ) 1 + ^2h2i i=\ Yl -—i. Now from Eqs. Prom the relation r = (ig/h)ez we see that r — 0 > corresponds to $l(z) — —oo and r — oo to $l(z) —> oo. (19. Meixner and Schafke [193].

(19. the domain r_ < r < r+ — as illustrated in Fig. i Im z z = In r/r0+i7t/4 .rl)(r2 . (r — r+)(r + r+)(r — r_)(r + r_) > 0.e. Thus we choose . which has to be bridged by using another set of solutions.38) or (19. (19. .ijt/4 Rez . we have to assign different signs to the imaginary part of z in the two distant regions. This interchange in the > solution My interchanges y reg with y+. r 7r for 0 < r < ro.2 The Potential 1/r4 — Case of Small h2 Hence (r2 . 130).r2_) > 0 with r£ = rg(2 ± >/3). 19. and in order to maintain this symmetry. p.62).3a). Since the real part of z changes sign at r = ro. Originally we chose the sign of m / 4 as in Eqs.49).1 The domains of solutions.-ft/4 _Z z = In r/r-m/4 0 r 0 =(9/k) 1/2 Fig. The one further point to observe is that the variable w = 2/icosh z = (kr + ig/r) is even under the interchange z — —z. z = In h i— r0 4 and 7T z = In • ro { 4 for ro < r < oo.e. is satisfied only for r < r_ < r_|_ or r_ < r + < r. 19. Meixner and Schafke [193]. i.63) Thus there is a gap between the two regions of validity — i.19. 449 This condition. (19. A suitable set is the pair of fundamental solutions Me±v defined by (19. These solutions converge uniformly for all finite complex values of z (cf.3b) and (19.1.

Singular Potentials Then starting from the region r ~ 0. i. to r^2[AM^ + BM^\ A.v{z)\ . Thus we set rl/2M^\r) = = rll2[aMev(r) + (5Me-v{r)}.65) -in/A a>d[rl/2Mei/{z)]+f3>d[rl/2Me_Az)] Since Mev(z. we express in the domain r_ < r < r+ the regular solution as a linear combination of solutions Me±v with coefficients a and /3. as just explained. (19.l/2Me_i/(T.[ r l/2 M.64) there to another combination of solutions Me±v by setting: rl/2[aMey{z) = rl0/2[a'Meu(z) a^{rl'2Mev{z)} dr dr + ^Me_. (19. i. a4-[r1/2Me-v(z)] dr a'^-lr^MeAz)} It follows that (19. At r = ro the real part of z vanishes and then switches from negative to positive. h) = Me^u(—z.67) Next we have to continue the solution beyond the point r+ to a linear combination of solutions y+ and y_. (3 = a . p. these relations can be re-expressed for one and the same point z = —iir/A: rl/2[aMe-„(z) rl/2[a'Meu(z) + + /3Mev(z)]z=_in/A p'Me^(z)]z=_i7r/4. 131).450 CHAPTER 19. Hence we match the right hand sides of Eqs.(2)]z=w/4 + 0Me.z=—in/4. .v(z)\ —m/4) + ^[r^Me. + ^[r'^e^z)] dr z=—iw/4 + (31 ^[rll2Me.^)] dr z=in/4 dr (19. at this junction we require also the imaginary part of z to change sign. (3) (r)] aA[rl/2Mei/(r)]+/3i:[r. and we determine these coefficients from this equality and the additional equality obtained from the derivatives. Thus.e.)]-(19-64) The right hand side of the first equation now represents the regular solution in the domain r_ < r < r+. h) (as one can check or look up in Meixner and Schafke [193].66) a = (3 .B^0.

For the Wronskian W of two independent solutions f(z) and g(z) which is constant and can be evaluated at any point. = aMev(z) + 0Me-v(z). (19. and we are left with relations expressible only in terms of z.3b) we infer that (z = l n r + const. (19.70) = a±[Meu(z)}+P-^{Me_„(z)} A^[M^{z)] +B^[M^(z)}. Thus we obtain from Eqs. for instance. (19.68) From Eqs. with the replacements of Eq. Then. dr BM^(r)].65).64) the relations M&Hz) j-z[M^\z)] and from Eqs. and the second of Eqs.69) Thus if we replace in the derivative relations of Eqs. (19. we use the notation W\f. (19.65) and (19.68) \j3Me„(z) + aMe-v(z)] P±[Me„(z)}+afz[Me-„(z)] = = [AM^\z) + BM^(z)}. (19.70) by Me-U and subtracting .19.71) We now determine the coefficients a. (19. (19. A and B.) d_ _ 1 d dr r dz Hence for any of the functions Mv: | [ . (19. (3.g]:=f(z)*&--g(z)WZ) dz dz Thus. the nonderivative parts (from the first term on the right of Eq. (19. (19. (19.3a) and (19.68) the derivatives with respect to r by this relation.69)) cancel out in view of the nonderivative relations.2 The Potential 1/r4 — Case of Small h2 451 This solution can be continued into the domain below r = r+ by matching to the right hand side of Eq.67): rl/2[(5Meu{r) + aMe_u(r)} pd[ri. ^ ] = ^ + ^ ^ . (19. multiplying the first of Eqs.70) by Me'_u (the prime meaning derivative).2Mei/{r)]+d[rl/2M] dr dr = = rxl2[AM^\r) + Ad[ri/2M(z)(r)] dr +B^[rl'2M^{r)].

and Wronskians W[M^\MIJ)] = [i. W[MJ?\ M^] W[Mev.(0.71) we obtain in a similar way A B = = -W\MP\ Me. (19. Meixner and Schafke [193].A] = W[Mi3\z).Mev]' P l ' From Eqs.Me-vy W[M?\Mev] W[Me-v. 169) M0) = e«^Ma) _ isin U1X M(A) _ (19.Me-v] = = = -av.e.^ ^ a „ Q _ . Singular Potentials the second resulting equation from the first resulting equation.73) We now use Eq. av{h) = Me. W[M^\Mlf)]W[Meu. we obtain immediately W[Z.* « * r r z H .M^} W[Me„. = IT --<*„. h)/M^\o. we obtain the first of the following two equations. 7T (19.M^] W[Mev.4] = .. or obtainable by substituting e.. 7T W[Me-v.76) .48) (or cf.u}W[Me.3] = -[1. .47) we obtain (av defined by Eq. i.57) and (19.^ 47 9? MJ>4)] Me-V] [3.M^] --J™a-V.g. (19. 170/171). B = J 2 L _ e .j] given in Meixner and Schafke [193] (p. (19.46)) W[Mev.. i. M^4)] + W[MJ>3).e. 7T [1.4] = .75) With these relations and Eq.58) and considering large values of \z\.M^]= IT -e~iv*a-v. (19. (19. (19.\ \ ( av -2iwKa-v ^ v . . (19. and the second is obtained similarly: W[M?\Me-v\ W[Mev.452 CHAPTER 19. using Eqs. h).MiA\z)} = 2(-i)(2/Trw)(dw/dz) = -(4i/Tr)(2hsinhz/2hcoshz) ~ -4i/>.77) av I 2ism V-K \ ct-v av ^Thus.Me^} (19.46). p. we use the following circuit relation which can be derived like Eq. (19.74) Moreover. TV W[Me-v. Me.] W[Mev. the leading terms of the respective cylindrical functions. With these expressions the quantities A and B are found to be A= f au ^ 2isin V-K \ a_u 1 a.u.

(ite™)" 1 { 8 J ' f(-k. 2zitsm z/7T zzitsin I/TT Inserting these expressions into Eq.l) ' We note already here that with the substitution R = ei7r7. in Chapter 16). as we recall from earlier considerations (e./) = (l)1/2R2-^-2i^)ei^)U^.f c .2 The Potential 1/r4 — Case of Small h? The regular solution in this way continued to r ~ oo is then y reg ~ ~ 453 Tl'2[AMiz\z.(-l)le-^}Pi(cos 9).h).19. (19. (19. f c r . The superposition of an incoming plane wave and an outgoing radial wave is written and re-expressed in terms of partial waves for r — oo » with z = rcos 6 as: 1 tCT" "1 OO e *« + /(*)!_ ~ 5 > ' c < f c P . (19.g. B=tfD-'"".85a) .h)] ( m / 9 \ 1/2 {-L\ {Aeikre-i(V+l/2)*/2+Be-ikrei{v+l/2)*/2^ g) We set fl = ^ = M|M). Z ) e ^ ] ./ ( . (19.82) The S'-matrix is defined in the following way in the partial wave expansion of the scattering amplitude /(#).80) -2^fc (19-81) where \7r/ i t sin VK /(-*. (19. (19.78) we obtain Ay reg « _ .h) + BM^\z._ [ / ( f c .h) = Me_u(-z. Z ) e .83) The S-matrix element is therefore given by ifc*"* .46) together with the relation Mev(z.79) where the second expression follows from Eq. e-ii/7r/2 (19. Then f-' .

56). and recalling that yreg is proportional to a function Mc> {z. (19.58)) in the limit r — 0. 9?. h) (see Eqs. We can rewrite Eq. Thus in terms of the (3) variable z.86) .S-matrix in the form s i n 7T7 Si = CHAPTER 19.2. Singular Potentials r(i+k) sin 7r(7 + u) (19.56) to (19. R 2i sin TXV. V(r)=g2/r Fig. (19.81) in another form from which we can deduce the amplitudes of reflected and transmitted waves.58)) 1/2 2r e~ 2hir cosh z. cf. we can define respectively as amplitudes of the incident wave. (19. (19. R — — = 2i sin ivy. 19. (19. 19. Fig. the reflected wave and the transmitted wave the quantities: A Ar At = = Re1' R 2zsin 7r(7 + u). we can write this (multiplied > by 2ismvTT.z—>oo 2r \l/2 -i(is+l/2)ir/2 2hir cosh z r> \ „2ih cosh z R--U + i [Re —2i/icosh z R Thus.454 we can rewrite the .85b) We shall obtain the 5-matrix in this form in the case of large values of h2 later. and with the left hand side following from Eqs.2 The repulsive potential and the various waves.

however not here. i. therefore we cite it from Meixner and Schafke [193].6 E v a l u a t i o n of t h e S .±)2 + (2sinj/7r) 2 . (105) to (108). i. Eqs. unitarity is preserved. (19. i. but in the 10-dimensional string theory context. Liang and Yunbo Zhang [189]." \R~Ji\2 1 | tO _ | 2 i s i n VK\2 [ | . i. By inserting in Eq.88) where the factor Me„(0.89) .-Q.„„„X (1 Q Q'T'l l \Reiun -e~iuw/R\2 ~ \Reiv* . The latter is what happens in the S'-wave case of the attractive potential. The expansion is: 4 r ( / i 2 ) M S ( z . 178).h) The function Mo (0.e.84) of the ^-matrix. This implies basically the evaluation of the expression R of Eq.2COS2VTT = (R.e.2 The Potential 1/r4 — Case of Small h2 455 One can verify that for v real (which it is here in both cases of attractive and repulsive potentials in view of Eq.e-™*/R\2 ' ' . Manvelyan. Meixner and Schafke [193] therefore developed an expansion in terms of products of Bessel functions which is more useful in practice owing to its rapid convergence.( i J e ^ ) " 1 ! 2 = R2 + -^ . J.h) = 1 Me V\ 5 / r J2 __ 0 O c»2r(h2)J„+2r(2hcoShz). M^l)(0.e.88) the power expansion of the Bessel function one realizes soon that the expansion is inconvenient in view of its slow convergence. l=—oo 1 1 lite*"* .19. (19. A derivation is beyond the scope of our objectives here. J. W.39)) the associated Mathieu function expanded in terms of Bessel functions of the first kind.h) is (cf. Hashimoto [124] and R. (-^)l4lu{h2)Ji-r(he-z)J±u+i+r(hez).In Meixner and Schafke [193] (p. in which v is complex.m a t r i x Our next task is to evaluate the expression (19. (p.e. H.2. (19. and then exploit it for the evaluation of the quantity R.28)) and R = ey real.. / i ) = Y. (19. unity minus reflection probability = transmission probability. h) serves the use of the same coefficients as in the other expansions. " S e e S. (19. (19. y We observe that this relation remains valid if the real quantity R = e and the pure phase factor eW7r exchange their roles. Jv+2r. S. 180). if R becomes a pure phase factor and eil/7r a real exponential.79).** 19. Muller-Kirsten. Gubser and A. this expansion is given as 1 oo MJ> Hz. Eq.

90) is in some sense amazing: It permits the evaluation of one and the same quantity M±J (0. Eq. We require the power expansion of the Bessel function of the first kind which we obtain from Tables of Functions as I)EH^(-T)Thus.2_4)(l/2_9)iv2y) + <AA.90) Here the coefficients c2"{h2) are the same as those we introduced earlier for the normalized modified Mathieu functions in Eq.90) and choose r = 0 (one can choose e. /=—oo (19. /n ^ .e. e.g.49) from which we obtain for z = 0: Me„(0. u»-^. (19. + 2 u -l\2j 2 fh\2 "2+2 2 MX4 {v -l)(v -4)\2 2 2(^ + 4 ^ . (19.g. h) in many different ways. Here in the case of the repulsive potential./i) with the help of Eq. The formula (19. As a matter of introduction we recall the definition of the coefficients with Eq.456 so that in particular for z = 0 oo CHAPTER 19. Singular Potentials 4r (h )M$(0.55). r = 0 and 2. r = 2 as a check)./>) = Co> 2 ) £ 7 " = — OO j ± > . (19.90). one obtains *.28)). i. we obtain M&(0.49). Next we evaluate M^1}(0.h) = Jo(h)J±Ah)-^^Ji(h)J±„+i(h) c0 {n ) ^ ' C^r^J-2{h)J±l/-2{h) cr(h2) + •••.6 2 ) m 6 (^_i)3(z.91) Inserting here the coefficients given in (19. h2 is complex but v2 is real (cf. (19.3 9 ^ . ^ (19. setting r = 0 in Eq.h) v 2 = ^2 (-l)lc%ih2)Ji~r(h)JM+r{h). (19. by allocating different values to r..94) . (19.

+ # "+" ( I / .96) With this explicit expansion we can evaluate the S'-matrix..111) / / i 5 4 3 1+ 4i/ 2 + +' (z.IV 2 2 2(v =F 3i/ .19.4)(i/ .1) 2u(4u + 15i/ . In this procedure our attention is focussed particularly on the quantity called absorptivity in the case of the attractive potential.7) F " (i/±l)2(^^l)(i/2-4)V2. one obtains M£!(O.32i/ . _2_(h\2 .12i/2 + 64u .95) These expansions imply for the quantity R: I/! -2v ri1 i .l) 5 (19.2 The Potential 1/r4 — Case of Small h2 457 Inserting the power expansion (19.97) + This expansion will be used below in the low order approximation of the absorptivity of partial waves.] 2 \v i + {v2 .2^ 2 ± 59^ .55) and collecting terms in ascending powers of h? (here for the case of nonintegral values of v).96) we extract for later reference the relation sin7rz/ R IT h h 2\ 2 Av [v\(v-iy.4 ) V 2 > 1 (-I/)!V2/ [1+ 2_Mx2 2(i/2-3«/-7) (h)4 (iy+l)2(i/-l)(^2-4)' ..9) V2 1 fh ±v 1+ 2 + • (19.1 ) 2 ( I / + 1 ) ( V 2 ./I) h u .23) (hxQ 2 3 2 2 V ± l) (i/ T 1) (^ .93) and the coefficient expansions (19. 4(z/ T H ^ 3 .!' or with the help of the inversion formula of factorials R = v\{y — 1)! sm-Kv f h 7T -2v (^ . . 2 (h\2 ^ l/2_1l2^ 2(i/ 2 +3f~7) /feu . From expansion (19.. We observe that this approximation involves v and h4 and hence is real.2 _ ^ 4 ( ^ 2 _ 4)2 (19.

104) We now consider the case of a — 0 implying that g of Eq. (19. This is the case of real . In this case R — R* and so 1/i?2 ~ Ofji4). (19.101) where / is complex and g is real.7 CHAPTER 19. (19.R*2 ^ * #2 \ -1-|-1 tf2 R* (19. and hence allow for the general case of complex parameters v (the Floquet exponent in the case of the periodic Mathieu equation) although here in the case of small \h2\ we know from Eq.9 / . + ( i + s w (E 4 .102) (19.28)).100) Here we set 2^/3 = 1 + j / ? e 2™ = l + gt (19. where n is an integer and a and (3 are real and of 0(h4) We have with Eq.84): Si ST 1 (1-1/R2)(1-1/R*2) .^ i 4 2+^ # 1 / •.458 19. (e iun e~iv*^/R*2)' (19.98) (cf.101) is > zero.2. and sin 2TT/3 = ft/. (19. 9 / « i(2yr/3)2 ss i(sin 2vr/3)2 ~ 2 sin2 TT/3. Then cos 2TT/? = 1 . Eq.28) that v is real. _ i?* 2 2+ g # 2 i?* 2 2 -3/(i + s)(4 + i?*2). Thus we set v = n + i(ot + i(3) = (n — 0) + ia.103) Then SiSt (1+5) i .e-iun/R2)(eiu*n ~ (19. Singular Potentials Calculation of t h e a b s o r p t i v i t y We consider the absorptivity in a general case. (19.99) which can be rewritten as SiST „2ira 1 1 1 R2)V 1 1 R*2 16 1 R2 Ana „2na + i 2 leZ7rQcos27r/3 R* +1 )e 2 ™sin27r/? }]"' (19.

(19. = 1 .l ) 2 2 \) +0{h«) (19. (19. Oberhettinger [181]. We can also evaluate now the amplitudes (19. one can calculate the next term of the expansion so t h a t At=Q = 4 ^ 4h4 {7 .1 ] Oih* For S waves this implies an absorptivity given by ((—1/2)! = 1/7F) (19.61n2 .e. Using the derivative of t h e gamma function expressed as t h e psi function ip(z) = T'(z)/T(z).2 The Potential 1/r4 — Case of Small h2 parameters v = n — (3.^ ) ~ 2 2 459 1+ 9 / • & ( ! . and t h e values of ip(\/2) and ip{2>/2) as given in Tables^ with Euler's constant C ~ 0.105) sin7r/3 (19.61n/i} + ~9~ 0(h8) (19. ( I l l ) ) in agreement with a result in S.-Q.1)\} 2 h \2 iv 1 + Au {y .19. Magnus and F.3b)) h2 is real for E = k2 > 0. Muller-Kirsten.3. S. Manvelyan. W. 1 29/ ^ (1 . .6C .107a) In this result* we now have to insert the expansion of the parameter v given by Eq.SiSf » 4 sin7rz/ R (19. Liang and Yunbo Zhang [189] (there Eq.106) and evidently violates the unitarity of S. (19. In all comparisons with these papers — which consider predominantly the 10dimensional string theory context — one has to keep in mind that many formulas there do not apply in the three-dimensional case we are considering here.577. f W . J. J. Hashimoto [124].97) this can be written A 4TT2 [v\{v . H. Hence with Eq. With t h e help of Eq. At = 2i[l + 0(h2)}.107c) Here h2 is actually Vh4. "This is the result effectively contained in R.28). (19.* ) - 1-4(^V = 1 T h e absorptivity A is therefore given by A = 1 . p.86) and obtain in leading order for I — 0: Ai = *[l + 0(h% Ar = ±[l + 0(h2)].102) we obtain Sis.107b) = Ah2[l + 0(h4)}. Here in t h e case of the attractive potential (as remarked after Eq. Gubser and A. 2 /l4 '•i Al=0 2[(l + 1 / 2 ) 2 . i.

Park.109) ^We follow here mainly D.26) and hence set a1 = -2hl + 2hq + A{q. 2 2 a = [l + 2 (19.3 The function q(l. This is therefore a highly interesting case which found its complete solution only recently. S. H. 2.460 CHAPTER 19.a }tp = 0. i.1. J. W.1 The Potential 1/r 4 — Case of Large h2 P r e l i m i n a r y remarks In the following we have in mind particularly the case of the attractive potential (h2 real) and rederive the 5-matrix obtained above by using the asymptotic expansions for large values of h2. Wannier [278]. (19.4) which — for some distinction from the small-h2 treatment — we rewrite here as 2 + [2h cosh 2z .h) 10. N.108) For the large values of h2 that we wish to consider here. Tamaryan. we again make use of the replacement (17.$ q(l. where the part of interest here is based on H. . Miiller-Kirsten and Jian-zu Zhang [226]. H. In addition this solvability is another aspect which singles the l/r 4 -potential out as very exceptional and like all explicitly solvable cases it therefore deserves particular attention. Aly. Vahedi-Faridi [8] and G.3. h) for large h and upwards I = 0. We are again concerned with the associated Mathieu equation given by Eq.3. W. 19. K.4 Fig. H. Singular Potentials 19.h) (19. J. completely different solutions. Miiller and N.H.e.3 19.

19.y^] = ab\f\ is the Wronskian (in leading order) of the solutions which are even and odd about z = 0 respectively. The replacement (19. (19.63). and A / 8 is the remainder of the laige-h2 expansion as determined perturbatively.yJ\ — 1 and cos TTV .y-} where VF[y+. The behaviour of q as a function of h for some values of / is shown in Fig. (17. since it is clear that large h2 considerations require a knowledge of the large-/i2 behaviour of the Floquet exponent v. i. to which we have to return in this subsection. however. which is even about z = 0.110) a where y+(7r) is the solution evaluated at z = TV. J4(0)=0.§ a W[y+. (19.2 T h e F l o q u e t e x p o n e n t for large h2 In our treatment of the periodic Mathieu equation in Chapter 17.3 The Potential 1/r4 — Case of Large h2 461 where q is a parameter to be determined as the solution of this equation. y± oc A{z)e2h sm * ± A(z)e-2n sm z .e. 19. See also Eq. which therefore cancels out or can be taken to be 1. (19. i. with an essential mathematical step.112) In Chapter 17 the unnormalized even and odd large-/i2 solutions of the Mathieu equation were given by Eq.l + 2y+(l. We begin. (17. Therefore the second term on the right is nonzero.3. y'_(0) = 1.113) 'We are considering nonintegral values of v. We also found the boundary condition (17.h*y_(l. With the boundary conditions y+(0) = l.111) we have W[y+. .109) in this way enables us to obtain asymptotic expansions of solutions very analogous to those of the periodic case.21b). we defined the Floquet exponent v and observed with Eq. (17.3.e. y-(0) = 0.h*y (19.5) that this is given by the relation cos iris = ^ M .21b). and a is its normalization constant. 19.

114) at z = 7r/2.46) together with the expansion of the Hermite function from Tables of Special Functions" ) B[w = 0] 7T 4 [lfo-l)]![l(g+l)]! 2 /i 5 82q2 .115) Setting z = 0 we obtain in leading order y+(0) = 2iV0A(0) and y'_(Q) = 4hN0A{0). Kin B y± oc y+(z) = N0 A(z)e2h A(z)e2h sin z + A{z)e~2h . Dingle and H. B. Miiller [73].39 2 14 /i 2 + (19.118a) "We emphasize again: For integral values of v the normalization constants are different. i. (19. J. B.e. (17. (19.116) (in the first expression we have A(z) ~ Aq(z) with Aq(z) given by Eq.462 CHAPTER 19. and hence with Eqs. (17.A(z)e-2h sin 2 sin z sin z (19. (19. 1 1 Or see R. from y+(z) y-(z) Nn BMz)] a B W oh e"" s m z + C[w{z)]~hl -_• -e a C[w{z)} 2h .114) a a Our first step is therefore the determination of the normalization constants No. W. Singular Potentials and their extension to around z — TT/2 by the relations C[w{z)\ ^_2h sir Mz)}„2h. J.117) a a Referring back to Eq. See R. . K [ (z)}2hsinz (19.32). W.112) from evaluation of Eqs. We now obtain the expressions needed in Eq. (17.111) we have^ iVo = 2 3 /2 1 + °{k and K = ¥frh l +O (19. (19.43) we see that z = 7r/2 implies W(TT/2) = 0. Miiller [73]. which is \/2 at z = 0. Hence we require (obtained from Eq. Dingle and H. in the second expression 2h is obtained in addition from differentiation of the exponential factor). This paper contains the normalization constants of large-/i 2 periodic Mathieu functions.

210.3 The Potential 1/r4 — Case of Large h2 and 463 as dz )z=n/2 dw (dw\ o\dzJz=n/2 1C%2 .62a) and (17.2g + 3) 27/i ( 3 g 2 . Miiller-Kirsten and Zhang [226] — is cited without proof by Meixner and Schafke [193].119a) This formula — derived and rediscovered in Park. (19. Tamaryan.! ) ] ! [ .112) we obtain COS TTU + 1 7T '2Wa[\(q-l)]l[-\(q+l)]\ 02h 1 -¥h + 2TT ' 2^ha [\(q . a in Eq.1Q11QM cos irv + 1 ~ •==— e .62b) (see also the explicit calculation in Example 17. Thus in particular (8h) i(?-i) a (3q2-2q + S) 27h + l\(q-W " ' Inserting these various expressions now into Eq.119b) COS TTV + l ire This result gives the leading contribution of the lavge-h2 expansion determining the Floquet exponent v.[_ l ( g 2h and hence 5 + 3)]! '-All Ah 1+2 (3g2 . p.! ) ] ! [ . Presumably they extracted it from "between the lines" of a sophisticated paper of Langer's [159] which they cite together with others. With the help of the duplication and inversion formulas of factorials the result can be reexpressed as cos( g 7r/2)[£(g-l)]! .117) are known from the matching of solutions in Eqs.h .\ { q + 3)]! 7re 4/i 24/i + (-2/i 1 /2) ( 8 / l ) 9 / 2 [ _ l ( g + !)]. (19.3).i ( g +3)]! 1- 24/i {-2hl>2). (17.118b) The factors a.87 2 14 /i 2 [ i ( g .19.8 g + 3) +0 ^2 (8h)^[~l(q + l)]\[-l(q + 3)}\ 2eh ' ~ (19. (19. . (19.

„ 1 A „ —A cosh z——H . it is still a solution but not with the symmetry property ip(q.h.3.z) = A(q.3.? s m h z) Vcosh z (19. Vcosh z \ 1 . (19..3. With the solutions as they stand.h). h. z) = ip(-q. h. Singular Potentials C o n s t r u c t i o n of large-fa 2 solutions 19.h. h. h. .z)exp[±2hismh z\. 17.122) that given one solution ip(q.464 CHAPTER 19. h. each with a specific asymptotic behaviour.3 Following the procedure of Sec. —z). —h.121) We let Aq(z) be the solution of this equation when the right hand side is replaced by zero (i.h) =-?==.z) or as tp(q.122) Correspondingly the various solutions ip(q. i = 1. z).120) to (19.z) = Aq(z)exp[±2hiswh z] ^~°° exp ±z/te ( ')eT^/4> V cosh z e x = Aq(z) exp[±2hi sinh z] ** ~~°° ^ h e ^ V cosh z e ^q/\ (19.h.e.2 we insert the expression (19. —h. z) are TP(q.124) Since this function differs from a solution ip by a factor k(q. V— 2in (19. Then straightforward integration yields > inq 4 „. h. we can obtain the linearly independent one either as ip(—q. . tp(q.z) := = exp[i7rg/4] j===^Aq{z) exp[2/wsinh z i(77r/4 V-2ih k(q.123) We again make the important observation by looking at Eqs.z).z) i/>(q. We define these solutions in terms of the function Ke(q. z) = ip(—q. z) can then be written as . for h — oo). 1 / l + isinhz\T9/45R^oo e^ / Ag(z) = -===[r^— ~ . (19. dA 1.-z).h)iP(q.-h.109) into the equation (19. the expression (19.120) The resulting equation for the function A(q.4.2. h(q.h.108) and set ip{q.h.s i n n z ± iq)A = ± K qj dz 2 Aih d2A dz2 (19. —z). In the following we require solutions H e ^ ( z ) . of course. h. .109) remaining unchanged.

19. we h a v e 77 = 0—> 6 = 0. the Bessel functions contained in the expansion of the associated Mathieu function M{./h).126) For large values of the argument 2/icosh 2. (0. in performing this cycle of replacements the function picks up a factor.127) sin z T /'1 M TT\ — <>{ 4 . (19. i.3 The Potential 1/r4 — Case of Large h2 465 Instead. This is. . : 7r/2. we h a v e ( u s i n g cosh 2rj = 2 c o s h 2 77 — 1) ry Jo ' = dr. achieved with the help of the Floquet solutions Me±v(z.^ s i n h 7?)]g.45). Me„(z.h2) = OvMPfrh2). w h e r e Iv := I drj\f a + 2k2 cosh 2*7" J0 I n s e r t i n g t h e e x p r e s s i o n for a. Ju(z) TTZ VK 7T cos z T~ 4 1 + 0| ^V. IT a n d 7 = 00 — * 7 > : 2fcsinh y + i<j7T h Aw 26/? T h e factor e " r ( ? + 1 ) / 2 o n t h e r i g h t of E q . W a n n i e r ' s p a r a m e t e r $ Q is defined b y 1 -*0 = 2 K = °o fv I l i m [/„ — 2fc s i n h y]. In order to be able to obtain the S-matrix. * ** = > rojKe(- -". (44) of W a n n i e r .e. It follows t h a t S e t t i n g s i n h 77 = t a n 0 . 2j<. ->• * F $ 0 * e". we have to match a solution valid at Kz = — oo to a combination of solutions valid at $tz = oo. av{h2) = ^(0J ^ Mi i . or — equivalently — by the appropriate expansion of the Bessel functions as given in Tables of Functions. i.h2). o u r h2 is W a n n i e r ' s — k2 a n d o u r a 2 is his a w h i c h in t e r m s of o u r p a r a m e t e r q b e c o m e s a = 2k2 + 2iqk + A / 8 . as we saw earlier. i.fi2) can be reexpressed in terms of Hankel functions.WJ " C o n v e r t i n g t o n o t a t i o n of W a n n i e r [278].fc 2lqk A + 1/2 + 4fc2 c o s h 2 77 A / 8 P .e.e. [ \ . We observed that these satisfy the relation (19. (19. .<5±1) (19 125) - (the expression on the far right in leading order for h2 large)./i 2 ) M (19.125) is t h u s seen t o b e i d e n t i c a l w i t h t h e p r o p o r t i o n ality factor in E q . / 2i<jfc + A / 8 \ ~ 2fc / drj cosh 77 1 + * _' Jo V 8fc2 c o s h 2 77 7 2fcsinh y + [ t a n . (z. One can show that the quantity < o of Wannier* (see above) is related to q by $o = & iqir/2 + OO.

exp[—ikr — in/4\ kr Re{2)(z.h) Be^(z.-h).128) We now define the following set of solutions of the associated Mathieu equation in terms of the function Ke(q.-q.h) = e{z) exp ihez + iexp[ikr + i-7r/4] kr 7T .eW(z.q.h) = e(z)exp exp ihe^ 4 + i\ 12 i4 3^-cO. (19.z)./i) Be^(z.h )~ \ -ot±v cos(2/icosh z = vir/2 — 7r/4) F V2/tcosh z (19.130a). (2) (19.-h). 3te»0. (19. Singular Potentials Note that the sine part is nonleading! Retaining only the dominant term of this expansion we have (with z — 2h cosh z) > Me±l/(z.129) The solutions so defined have the following asymptotic behaviour (where e(z) = (2/icosh z)~ll2 and h2 = ikg): H.q.466 CHAPTER 19./i). HeW(z. He (-z.128) and consider the cosine there as composed of two exponentials whose asymptotic behaviour we identify with that of solutions of Eqs.q.h.3.vr .4 T h e c o n n e c t i o n formulas We now return to Eq.130a) Re^(z. In this way we obtain in the domain . h. (19. (19.h) He (z.g.h) (3) = = = = Ke(q.h) = e(z) exp ihez .q.q. KeW(-z.130b) r_0 rll2exp\-g/r (ig) ' 19. z): Re(2\z.q. 3te»0.g.-q.130b). (19.

h) — sin 7T7 He^(z.* ^ / 2 H e ( 3 ) ( Z ) g? Mev(z. (19. Changing the sign of z. and He(*> exponentially decreasing.134) in the region where the function He^(z. q.li 2 ) Oil. q. h. (19. these are exponentially increasing there. -h. z) and He (3) (z. q. h) = Ke(-q. / i ) + sin7r(7-^)He(4)(2.131) where the second relation was obtained by changing the sign of v in the first.q.132) into Eqs.g. (19.h) sin irv = sin7r(7 + ^)He (3) (2.19./i). (19. e x ^ r / 2 H e ( l ) ( 2 > g> />) _ e . and thus can be matched in this region.132) These relations are now valid over the entire range of z. q.h2) Me-„(z.« * r / 2 H e ( 2 ) ( ^ g> ^ ft) _ e W 2 H e ( 2 ) ^ ^ ^ = a_ 2TT e .(-z.125) the proportionality factor can be seen to imply the relation exp •ffa + 1) sin7r(7 + "} (19.131) and eliminating He") and setting again exp[m7] := we obtain the first connection formula ozwr — sin irv He (4) (z. (19.133) In a similar way one obtains the connection formulas — sin -nv HeW(z.h) is asymptotically small (cf. Eqs. -z) are proportional there. (19. t With Eq. we see that the solutions (compare with Eqs.3 The Potential 1/r 4 — Case of Large h2 fc>0 the relations: = 2TT 467 Msv{z. h) = Ke(q. e W 2 H e ( 3 ) ( ^ ? j ^ _ e -M/*/2jj e (4) ( ^ q j ^ e .129)) He (2) (z.(z.h2) = 2vr i a_ 2TT />) _ e ^ / 2 H e ( 4 ) ( Z j ^ Q (19. (19.130a). (19.135) sin irv 'This means.134) Considering now the first of relations (19.g.g.h).130b)).q. — sin 777 H e ( 3 ) ( 2 .h2) a. h) = sin 7r(7 + v) He (1) (z. we obtain in the domain tfcz <C 0 the relations: Me.q. g ./i). Substituting the Eqs. ./i 2 ) = Me_j.i ^ / 2 H e ( l ) (z> ?) (19./i) — sin 7T7 Re^(z.

135).135) is the equation corresponding to Eq. (19.e. which in our case is the solution He^4^. h) ~ — sin TXV -(-1) sin 7r(7 + v)e kr ikr in 4 rl/2e-g/r+m/A / (ig)1/2 ( .1 . Wannier did not have the relation (19.133)) — sin TXV He^4' (z.m a t r i x From Eq.119b) as „4/i 1 + COS TXV ~ rrl ( g .119a) or (19.l ) (l„—ikr e From this we can deduce that Si (19. ' cos TXV ± v 1 + elin sin2 TXV =p v'cos 2 TXV . The quantity 7 is now to be determined from Eq. (19.133) we can now deduce the 5-matrix Si — e2t51. q.119b).468 CHAPTER 19.5 D e r i v a t i o n of t h e ^ .138) TXVICOS TXV We obtain the behaviour of the Floquet exponent for large values of h2 from Eqs. cos TXV + sin TXV. (60) in the work of G. Wannier [278]. (19. The latter is defined by the following large-r behaviour of the solution chosen at r = 0. is only the dominant term for large h2} 19. (19.139) ''Equation (19.85b) obtained earlier.e'i7ri 1. Singular Potentials The factor on the left. (19.l ) ] ! c o s ( W 2 ) 2 2 (8h)i/ 2TT29/ 2 +0 (19. Thus here the S'-matrix is defined by (using Eq. Squaring Eq.119a) and (19.3.137) We see that this expression agrees with that of Eq.Sin TXV. sin TXJ. of course. H. (76): "It is not likely at this stage that an analytic relation will ever be found connecting (what we call) v and 7 to (what we call) (I + 1/2) 2 and h2".l ) ' s i n 7 T 7 ^VK /2 ikr sin 7r(7 + v) _l)le-ikr -i5i„—ilir/2 SxelKr . exp 2^(9 + 1) and solving for sin TXJ one obtains the expression sm 7T7 sm TXV = ~iei7rq/2sin le iq-K • COS 7T7.( .135). i.(19. (19.136) ^ jrfl+l/2) (19:I35) sin 7r(7 + v) sm WKljrtl-a/2) S m TXV (19. and therefore remarks after his Eq. where 8i is the phase shift. .

(19.28) shows.138) we obtain.4 The absorptivity of the S wave (attractive case). Si xe ~ te ilir COS -KV V cos2 irv — 1 — e (COS^Q COS ITU ig7r 1 + e'iqn ielln cos TXV 2 2 C O S TTU (l-p/2)n (19. This is different from the behaviour for small values of \h2\.3 The Potential 1/r 4 — Case of Large h2 469 Since the right hand side is real for real h.141) COS TTU irvj — i s i n WR s i n h TTUJ. 19. since cos TVU is large. i. 9/2 (9-1) with the approximation q ~ h obtainable from Eq. (19. h) of the Z-th partial wave. as a comparison with Eq.140) From this we obtain the absorptivity A(l. T h i s is r e a l for UR a n integer.e. irrespective of what the value of I is) by cos™ + l = c o s ( T j^-J y/e1. i. the real part of v must be an integer. (19. A{l.139) could actually be neglected) implying | cos m>\ = cosh nvi.137) together with (19.§ Since the right hand side grows exponentially with increasing h the Floquet exponent must have a large 1=0 1 large h approximation small h approximation Fig.8h COS From Eq. we can approximate the equation for q ~ h (i. for the attractive potential.e. (19.h):=l-\Stf ^cos rr(uji + ivi) = cos Tn/jicosh COS ^7TQ N 2 1- (19.19. .109). Using Stirling's formula in the form z\ ~ e~zzz+1/2V2^. imaginary part uj (so that 1 on the left hand side of Eq.e.

D. 19. F. B. W Some of these sources can be helpful in further investigations.470 CHAPTER 19. J.139) 2Tr(16h)q /32\ f e Thus with Eqs. Lii and J.k) in the approach to unity are too small to become evident here. H. Paliov and S. "G. Cvetic. it seems it is not possible to guess from the above the result for the absorptivity of a singular potential with an arbitrary negative integral power.4 . Partial or other aspects of the weak coupling (i.-P. N. Pao and J. **A. S. Apart from the papers already referred to. Tiktopoulos and S.e. In essence. L.4 (there are tiny fluctuations in the rapid approach to 1). Singular Potentials with near asymptotic behaviour (for h2 — oo) > Afi . 19. 11 J. Y." as well as other aspects. Yuan-Ben [285]. N. Eden [46]. Vazquez-Poritz [61]. H. Treiman [271]. C. Fubini and G. Esposito [88]. Lew [128]. D.' Rudimentary aspects of a singular potential with a general power n have also been considered previously.4 Concluding Remarks In the above we have considered the solution of the Schrodinger equation for the potential r . Cvetic. and G. H. (19. see also M. in fact. one may expect corresponding results for other singular power potentials. This is sketched schematically in Fig. A. N. in further contexts beyond those already mentioned. Furlan [20]. small h2) case have been considered by some other authors. Jones [78]. Rosendorf [225]. Dombey and R.142) we can see the behaviour of the S'-wave absorptivity as a function of h. E. Apparently this is one of the very rare cases which permits such complete treatment. (19. Challifour and R. **R. and.^ A highly mathematical study of the potential ~ r~2 as an emitting or absorbing centre has been given recently. such as phase shifts.107b) and (19. A. S . Limic [177]. The diminishing fluctuations of A(l. Masson [191]. With the exploitation of perturbation solutions of both the periodic Mathieu equation and its associated hyperbolic form for both weak and strong coupling (more precisely h2) together with corresponding expansions of the Floquet exponent it was possible to go as far as the explicit calculation of the S'-matrix and the absorptivity. . Bertocchi. Pope and T. Handelsman. I r a n [61] and M. Shabad [248].** Finally we should mention that the potential r~ 4 together with the associated Mathieu equation have also been studied in interesting contexts of string theory. A. Lii.

g.* However. We concentrate in this chapter on the large order behaviour of asymptotic *C. Wu [18]. Dingle [71]. J. 471 . B. [19]. how the large order behaviour of the expansion of the eigenvalue is related to the discontinuity across the latter's cut.* In fact. Thus in the following we shall not only obtain the large order behaviour of the coefficients of the eigenvalue expansion but also that of the coefficients of the wave functions as well as the connection between these. *R. f R . B.Chapter 20 Large Order Behaviour of Perturbation Expansions 20. e. This is indeed a remarkable connection. the asymptotic solutions in different domains all have the same coefficients. T. the cosine potential is more suitable for such studies than the anharmonic oscillator since its case is simpler. also convergent expansions are known and a lot of literature exists on the equation. the subject is much older and had been explored earlier in great detail in particular by Dingle^ with the subsequent investigation of the behaviour of the late terms of asymptotic expansions of the eigenvalues of the Mathieu equation and others. Bender and T.1 Introductory Remarks The subject of the large order behaviour of perturbation expansions — meaning the study of the late terms of the asymptotic expansion of some function with a view to extracting information about the exact properties of the function — received wide publicity with the publication of the anharmonic oscillator studies of Bender and Wu. W. We shall also see explicitly. Dingle and H. and how this is related to the level splitting — in fact we shall see this in both cases of the cosine potential and that of the anharmonic oscillator. Muller [74]. M.

20.2.6. Large Order Behaviour of Perturbation Expansions expansions using in particular the recurrence relation of the perturbation coefficients obtainable with the perturbation method of Sec. This approach leads . 8.2 and below.7.6. 10 12 14 16 18 20 Fig.2 The function ur = r\/pr vs. r for p = 4.1 and cases in Sec. Fig. Since the method is also applicable to convergent expansions. 19.2. one could naturally also explore the large order behaviour of these in a similar way and expect the behaviour discussed in Sec. as evident from Example 17. r for p = 4. 8. 20.472 CHAPTER 20. Presumably this has never been done so far. It is a feature of a physicist's approach to a problem that he employs a method of approximation which is such that the first term of the corresponding expansion yields a rough value of the desired answer. 5.8.1 The function ur = pr jr\ vs.

for instance. It can be seen from these. 20. and the integral E(g2) is called the Borel sum. even if each En is known.2) or. The formal perturbation expansion of a quantity E(g ) . The traditional method of using an asymptotic expansion is to truncate the series at the least term.J2 2n h E (20. whereas in the case of the asymptotic expansion it is the opposite: a factorial in r divided by a power. (20. The question arises: What is the information about F(z) that can be obtained from the asymptotic expansion of E. E(g2) = f2 Eng2n = Eo + J2 n=0 n=0 E 2(ra+l) ^9 (20. this term represents the size of the error.e.2. and the expansion is said to be Borel summable. i. A considerable amount of work has recently been devoted to the question whether it is possible to reconstruct a function exactly from its asymptotic expansion. i. For an authoritative discussion of these aspects we refer to Dingle [70].3) n=0 Thus for any given value of g . .20. The behaviour of such terms is illustrated in Figs.4) Jo Jo its Laplace transform F(z) is called the Borel transform of E. in the power expansion of the exponential function). T V lim h2N 2 n EQ?) . the function E(g2) is given only approximately by Yln=o En92n.e. that the maximum of the absolute value of terms in a convergent expansion and the minimum of the absolute value of terms in an asymptotic expansion are reached approximately when the value of the variable is approximately equal to the number of the term.1 Introductory Remarks 473 automatically to asymptotic series. as we discussed earlier in Chapter 8. If the function E(g2) can be written as the Laplace transform E{g2)= dze'z/g F{z)=g2 dte^FigH). The behaviour of the r-th term (r large) of the convergent expansion is generally of the form of a power divided by a factorial (as. In some cases the answer is affirmative.1 and 20.1) is an asymptotic series if for any N lim 92^o 1 g 2N N E(g )-^2En92n 71=0 2 = 0 (20. equivalently for g = l/h.

n E(9 )~ 2 n=0 ^ E0 +1) = Ea^2( °° oo /»oo = J2ang2^ „-n -'O n=Q dte~H\ a_i = E0.n _ En+\ n! En+1 ^ (-!)"«!. n=0 (20. that of F(z)) over a domain that is larger than its region of convergence (see Chapter 8 and Dingle [70]). The function F = 1/(1 + z) is an analytic function which can be continued beyond this circle to the entire positive z-axis as required by Eq. In general this is not so easy. El . .4) can be evaluated and E(g2) thus recovered from the asymptotic expansion by Borel summation. Q. 1 we obtain oo F(z)-£(-*)" = — . (20. many asymptotic series do not even alternate in sign (as in the case of the series in Eq. Large Order Behaviour of Perturbation Expansions Eq.6)).474 CHAPTER 20. We observe that a function E(h) with asymptotic series ^ r=\ A has an essential singularity at h — 0. . . (and E0 = 0).6) The power series of F(z) converges inside the unit circle about the origin at z = 0. (20. In any case. it is important to know the large order behaviour of the asymptotic series so that the question of its (exact or only approximate) Borel summability can be decided.5) then with the integral representation of the gamma function F(z) = (z — 1)!. (20. In fact. . . In this ideal case the integral of Eq. (20. J we obtain Now if />oo dte-Hz-\ °° oo ' 0 dte-H*-\ TEn+1g^V . n=0 (20.1)? Asymptotic expansions originate from integrating a series (i. Thus if CO F(z) = a-iS(z) + J2 anzn.4). We can therefore write down a dispersion relation representation choosing the cut from 0 to +oo: .e. .

2. This is the case if the real potential has a hump of some kind. The potential (20.1 Introductory Remarks 475 except for possible subtractions.3 The potential V(r) gr».. Comparing the last two equations we obtain (by expanding in the latter the denominator in powers of h'/h) -I j-QO Ar = 7T JO tir~l%E{ti)dti. for < ^ 0. Weinberg [228]. or can we determine Ar independently? Fig. if the potential is V(r) = --+grN. e.10) is considered in detail in this work.g. M. $s E can be calculated by the WKB procedure.. N = l. (20.2.3 and g < 0. i. 20./ \p\dr\. and E represents an eigenenergy.9) The question is therefore: How can we determine 9 E(h)...e.11) V...10) r as shown in Fig... Popov and V.. we have a quantum mechanical problem where probability can leak away. 20.20. if the potential or a boundary condition is complex such that the problem is nonselfadjoint.N = l. (20. ? When ?s E ^ 0. S. § where 7(ff) = To exp | . . (20. and with g = 1/h and it is found that§ En = 4 n ) ~ \lis).

the eigenvalue expansions of the cosine potential and of anharmonic oscillators. However. since this is effectively the Mathieu equation for which — for comparison purposes — extensive literat u r e was already available. as was (and still is) not the case for t h e equation 1 V . (14. In the first such investigation it was sensible to consider the Schrodinger equation with the cosine potential. Here n is the principal quantum number of the Coulomb problem (see Eq. S.11) is. the Breit-Wigner formula (10. (11. of course. Eletsky. An interesting application is provided by Example 20.76) (see also the comment on the comparison with the Kepler problem before Eq. the cosine potential being t h e most completely investigated will also be seen in the following.^ The logarithmic factor in Er is a novel feature of this case. V. Popov and Weinberg. .73) in the W K B or semiclassical approximation. Popov and V. (20. Example 20. M. as we expect on the basis of Eq. L. Large Order Behaviour of Perturbation Expansions where the frequency of particle bounces against the potential barrier is 70 ~ ^classical/27r and w c i assica i = 2ir/Tkepier oc 1/n 3 . (11.1.476 CHAPTER 20.1: Application to the Yukawa Potential Evaluate 9 £ = —7/2 for the Yukawa potential V(r) = -g— r / \ r and insert the result into Eq. Weinberg [83].2 Cosine Potential: Large Order Behaviour It is instructive to investigate various methods for obtaining the large order behaviour of an asymptotic expansion. the perturbation method of Sec. Thus in the following we apply these methods to our typical examples. Evaluating the integral show that 00 r=0 v ' where n is the principal quantum number of the Coulomb problem as in Eq. (20. Equation (20.113)). Straightforward Rayleigh-Schrodinger perturbation theory usually does not enable this in view of the unwieldy form of coefficients after very few iterations. 20.7 with its focus on the structure of coefficients of perturbation expansions was seen to permit even the formulation of the recurrence relation of its coefficients. 8.11).9) for Ar. Solution: The solution can be found in a paper of Eletsky.134)). The most direct way to approach the problem of determining the behaviour of the late terms of an asymptotic expansion is to consider the equation determining these coefficients.

Cq.e.13) represents effectively a partial difference equation. 3)? .3 ) P i _ 1 ( g . The recurrence relation (20. Eqs.j) a n d M2i can be deduced. or equivalently of the quantity A. Miiller [74]. Eqs. Dingle and H.j) are known. arising in the i-th order of the perturbation expansion of the wave function oo 1 i ip — const. h). % = Aq.14) Thus these coefficients can be obtained once the coefficients Pi(q. Thus in the case of the Schrodinger equation with periodic cosine potential we saw (cf.58) and (17.l ) / 2 ] ! i![(g-l)/2]! • We have seen earlier (cf. j . (20. are given by i .l ) +2[(q + Aj)2 + l + A]Pl.J) = (g + 4 j .2 Cosine Potential: Large Order Behaviour 477 with an anharmonic oscillator potential.13) In the special case j = i the boundary conditions stated after Eq.26) and (17.61)) that the coefficients M2i of the expansion of the eigenvalue A = E(q.55)) X = E(q. (17.12) (20.l(q. (17. (20.60). (cf.j + 1). to avoid discussion of difference equations here) 2 l{q j) ^ (16)«(»-l)!(2i)«/° / _ 2q -2q + 3\ f i \ ' -[\{q-mw-m\ sr ){j)> (2(U5a) R. With some simplifications for large values of i this equation can be solved approximately and the large order behaviour of the coefficients Pi(q.j) +(q + 4j + l)(q + 4j + 3)i^_ x (g. obey the recurrence relation jPi(q.Bq. B. W.M2i+1 for large i.58) eliminate the last two contributions and one obtains the exact expression ^ ' Z j _ 4<[2» + ( g . J.l ) ( g + 4 j . Eqs. i. This has been done" and it was found that (we cite the results here since we rederive them below in detail by other methods. (17. (17.2 A = Mx + ~M2 + 7^WM3 + •• • . M2i = 2j2 J[Pi(q.34)) that the coefficients Pi(q. (17. .h) = -2h2 + 2hq+j.j) of functions ipq+4j.20.

In the following we concentrate on the cosine potential and rederive the large order behaviour obtained above by other methods. Large Order Behaviour of Perturbation Expansions where the bracketed expression at the end is the binomial coefficient.*.l ( 9 + l)]![-|(Q + 3)]!}2 i!^" 1 1 or (with the help of the duplication formula. In the first method we do this by first obtaining the imaginary part of the eigenvalue with the help of nonselfadjoint boundary conditions. .th term iW~^q 1 {[i(g-l)]!} 2 2 7 r(8/ l ) i .17) We see that assuming i is very large compared with m is here equivalent to assuming m is approximately zero.19) ^nOW =2(9"1) We observe that successive terms do not alternate in sign. (20. see also below) .1 22 the result becomes i t h term (i + 2n)!2 2 " 1 where n 1 (20.16a) (20. also written lCj.15b) The z-th term in the expansion of the eigenvalues A of the Schrodinger equation with cosine potential (Mathieu equation) is therefore given by ith term i\ (8h) i-l 1 2g2 + 3 2i )[{[\{q- 7. Hence exact Borel summation is not possible. Using this relation and the duplication formula l-w('-\W±^.16b) With the help of Stirling's formula one can derive the following relation: i large 1 (i + m)\ \-o (20.l (20.18.9-1 l)]![i(g-3)]!} 2 { [ .478 CHAPTER 20. and from this for i even or odd it is found that Mi ~ (16)^! 1 2g2 + 3 1i .•9-1 {[-l(? + i)]![-|(? + 3)]!}2 (20.

3 Cosine Potential: Complex Eigenvalues 479 20. the difference q — q$.1 Cosine Potential: Complex Eigenvalues The decaying ground state Our intention here is to consider again the cosine potential and hence the Mathieu equation with the same large-/?. we follow here a formulation in the context of our earlier considerations of the Mathieu equation. What changes as a result of different boundary conditions is the deviation of q from the odd integer qo.5- \ \ / \A Fig. but now change the boundary condition at the neighbouring minimum in such a way that the difference q — qo becomes imaginary. -\ 1- \ \ \ \ \ 0. W. in the calculation of the level splitting as a result of tunneling. . t To enable comparison with the work of Stone and Reeve we shift the cosine potential considered previously by 7r/2. when this is g0 = 2n + l .2 solutions obtained earlier. A means to achieve this was found by Stone and Reeve. f H . Miiller-Kirsten [200]. i. 20.* However. .e. we emphasize a few points *M. .3 20. l . but with different boundary conditions. remains unchanged. . n = 0 . Stone and J.20. Reeve [262]. 20. Previously. this difference was found to be real.3.4 The cosine potential shifted by TT/2.4. which means that the potential is there approximated by an infinitely high harmonic oscillator well with levels enumerated by the quantum number qo or (equivalently) n. This is a very instructive exercise which shows how the eigenvalues change with a change in boundary conditions. From our previous considerations it is clear that the formal perturbation expansion of the eigenvalue X(q) in terms of the parameter g. .5- A i 1 1 r f \ \ M\ \ \ / ! \ \ -1 \ \ I 3 \ \\ \ /41 i \ \ -0. We retain the previous boundary condition at one minimum. J. The potential we consider here then has the shape shown in Fig. 2 . At the risk of repeating what we explained earlier.

Previously this situation was the same at the neighbouring minimum. The physical wave functions there are therefore the solutions which are real and exponentially decreasing. 8 the equation can be approximated by d2ip(w) (20. as we found these for this potential. 20.20b) with potential V(z) = — 2h2 cos 2z as shown in Fig. Now we change this situation at the minimum on the right. Here we choose t h e second way.480 CHAPTER 20. . and allows its imaginary part to tend to infinity. Effectively we consider the tunneling from the left well in Fig. 20. Around z ~ 0 w e can expand and obtain i)"{z) + [A + 2h2 .e. To be more precise we recall the Mathieu equation we had earlier: ip"{z) + [A . Thus one chooses not the solution with real argument at the minimum. a boundary condition which at the face looks somewhat abstract. we shift the argument by n/2. and thus obtain ip"{z) + [A + 2h2 cos 1z\i>{z) = 0 (20.21) <u> + ( i « . X + 2h2 = 2hq+—. i.20a) As stated.4. Setting w = 2h1/2z. Large Order Behaviour of Perturbation Expansions for reasons of clarity (since some considerations here may otherwise not be sufficiently clear).2h2 cos 2z]ip{z) = 0.4 (around z — 0) to the one on the right (around z ~ ir).4. We can distort the potential there or alternatively impose a different behaviour there on the wave function. but t h a t with complex argument there.T K ^ a D_i_{q+1){±iw). (20. the degeneracy of eigenvalues of neighbouring oscillators being lifted by the finite height of the barrier separating them. (1 w < 2a22) cylinder T h e solutions of this equation are the real and complex parabolic functions D ±(q~i)(±w)> In the following we find it convenient to select solutions of this type in the domains around the minima of the potential in Fig. but achieves exactly what we want. and correspondingly we assume alternately even and odd oscillator eigenfunctions there. 20. which means replacing z by z±ir/2. Thus around z = 0 the potential behaves like t h a t of an oscillator well with minimum there.Ah2z2 • • • }^{z) = 0.

2.63). we now choose an harmonic-oscillator type of real solution around the left minimum of Fig. This somewhat abstract looking boundary condition is effectively simply one imposed on a complex solution of the equation giving the oscillator eigenfunctions.3 Cosine Potential: Complex Eigenvalues 481 As explained above.20. 3 . considering around z = 0 the ground state of the harmonic oscillator for which go = 15 and replacing go by g.23) . .4. One should note the difference to our earlier case of the calculation of the level splitting: There we were seeking solutions which are even or odd about the central maximum of the potential. A (which we can loosely dub solutions of WKB-type). we see that ips ~ cos \j2qhz for z ~ 0.e. .> 0 for z -> ±ioo. 17. by a different method. (20. The calculation for the general case is nontrivial and so will first only be written down and will then be verified by specialization to the case of the ground state.22). We consider here explicitly only the case of the ground state around z = 0. i. the even or symmetric solution about z = 0 can be taken as *• = liDfr-riVhWz) +Dh{q_qo)(-2h^z)}. . 20. . (where for the ground state q = go — 1) D_i{q+1)(±i2h1/2z) ' ± zoo (20. . Since the large-/i2 solutions valid away from the minima were the solutions of types A.24) Considering t m O i n Eq. Here — again as before — we take the finite height of the barrier to the right of z = 0 into account by taking q only approximately equal to go = 2n + 1. we naturally constructed the even and odd solutions with these (cf. Thus. so that the deviation q — qo results from the finite height of the barrier taken into account with boundary conditions at the next minimum. A derivation is given subsequently. that at z = 7r. The proper harmonic oscillator solution there would be that for infinitely high barriers to the left and to the right with a dependence on an integer n which enumerates the quantum states in the well from the even or symmetric ground state with n = 0 through alternately then odd and even states upwards with n = 1. Eq. however. whereas here we construct these from oscillator-type solutions. whereas here we start off with a solution even or odd about a minimum. (20. Thus we write the boundary condition at Kz = ir: tp(±iw) — 0 for > w — 2h}/2z -K z— > i.e. such that this deviation becomes imaginary.

27) The differentiation of the parabolic cylinder functions with respect to their indices is nontrivial.h(-2h1/2 J £2=0 (20. As before we set A = -2hz + 2hqA where in the present case Ei = -2hz + 2hq0 + — and A & = Ex + E2 (20. Large Order Behaviour of Perturbation Expansions Although the two parabolic cylinder functions in Eq.26) Thus here we can approximate ips by expanding it about E2 i)s~DQ{2hll2z) + E2 ~{DE2/4h(2h ^ z) 1 2 + DE2/.25) qo) E2 0: (20. (20.(. tp(v).28) Extracting Du{—w) we have A.2 that one parabolic cylinder function is exponentially increasing in h and the other exponentially decreasing. We see this as follows. 92. §See e.we obtain the following circuit formula of parabolic cylinder functions Dv(w): Du{w) T DV{. or logarithmic derivative of T(^) for which:§ ^(1/) r» (20. The arguments of the functions appearing in Eq. W.g. p. From Tables of Special Functions-'. (20. Setting v = 0 in T(—v) = (—v— 1)! gives infinity. The differentiated function Y{y) is in Tables of Functions expressed in terms of the so-called psi function. we know from the solutions of types B and C in Sec. (20. Oberhettinger [181].27) differ by an angle IT. W.-w) = e T Dv{w) 2TT n-») Av-ViD-v-^iw).27) requires the differentiation of this expression with respect to the index v.3. this can be handled in a few lines. This is the feature which gives rise to an exponentially increasing contribution in the neighbourhood of z — 0 and hence provides the dominant contribution in going away from the origin.g. 17. 2.•w) + 2ir T{-u) <"+!)% D-v-i(iw). However. Thus the only nonvanishing contribution comes from differentiation of Y[—v). . Oberhettinger [181]. (20. p.24) are linearly independent around z = 0 for q ^ qo. and then evaluation at u = 0. Magnus and F.482 CHAPTER 20.29) Equation (20.30) 'See e. Magnus and F.

pp.3 Cosine Potential: Complex Eigenvalues From formulas given in the literature we deduce the limiting behaviour^ -1.31). those of type A.. . .31) dT(-u) r*(-v) dv 1 i/>(-v) ^ o -l. (20. (20.e. Differentiation of this equation and subsequently setting v — 0 yields.32) which we can use here since all other problems have been resolved: d D {-w) dv v (20.29). dropping from the derivative part of Eq. We now go to the WKBtype solutions. with the following expression for the large-z behaviour'! (here v = E2/AK) Dv{w) ~ wue~w2/4 = evlriWe~w / 4 for | arg w\ < ^TT. Magnus and F. we obtain the formulas (X) / \ 1 OO I » J ] (l+-)e-.//n and ij>{y) = -C .+ v ^ v k^x k ^ + ^ where C = Euler's constant = 0 . .33) = IV2~TT.e. Oberhettinger [181]. p. which are valid around z ~ 7r/2. i/^0 483 T(v) It follows that d dv [T(-u)\ (20. 3 . Stone and J. including the derivative of DE2ufl(2h1/2z)). Oberhettinger [181]. r(-i/) We now return to Eq. we obtain 4>s D0(2h^z) D0(2h1/2.34) This is the behaviour of the symmetric ground state solution away from the origin towards the limit of its domain of validity. Thus calculations for qo ^ 1 are not given by M. . For u — 0 one obtains the result (20. Magnus and F.27) exponentially decreasing contributions. "See e.+w2/i IW Inserting this result into ips and retaining only the dominant contributions (i.g. 1E2 + --± 0(e~hz2) 2 Ah Ihir ehz* E2V'< 16/i2 V2^ehz2~ 2hM2z (20. 92. This result is » not easily generalized to <jo > 1. 5 7 7 .20.29) v=0 (in + In w)D0(w) + v2ire (m + lnu. Reeve [262]. W. i.)e" -w /4 2 l ^D-x(iw) (20. and "Prom W. (20.4.

cos z/2 ~ (20. c2 the WKB-like linear combination e2hcos ^ W K B = ClipA + C2lpA ~ Ci z _—2/icos z — + C2 r-T-- (20. To this end we set z' = z — ix. that in approaching z = ir. (20. (20. Thus in the present case and with q ~ qo = 1 we obtain „2ft.36) and consider this at the other end of its domain of validity.cos z — 2/icos z ipA^ Tcos | and i n A —-.36) V'WKB cie~2hehz' 9h - . -smf (20. (20. we obtain the required solutions from the earlier ones.40).41) 2TT . (17. i.34).e. 92) we take the formula: Dv{w) = T { y ^ \eiv^l2D^v^{iw) + e-'^D-^-iw)] .35) We construct with constants c\.. i.36) cos | . We observe that in the matching domain (i.34) and (20. 2 c2e2he-hz UJ2 . y COS c\ J (20.29) and (17.38) in its limiting domain towards 2 = 0. (20.23) demands (with constant A) ip = AD_1(±i2h1/2z') -> 0 for z' -+ ±ioo. near z = n the boundary condition (20.sm I We now want to match this solution to that of Eq.36) we can identify the dominant large-/i2 behaviour of the constant C\ as c\ = e~2h.40) From Magnus and Oberhettinger [181] (p. (20. Large Order Behaviour of Perturbation Expansions extend these to their limit of validity to the left.39) Now.— 721 . by there replacing z by z + ir/2.484 CHAPTER 20.e.e. Then V'WKB becomes (with cos z ~ — 1 + z' /2. where we can then match these to the solution ips.37) Comparing Eqs. Eqs. with expansion of cos z in the exponential) D0{2hll2z) = e~hz ~ e~2h / „2/i cos z \ — ). Thus the WKB-like solution becomes p — 2/lCOS 2 V'WKB ~ D0(2h1/2z) D0{2h ' z) l2 + c2 + c2 ^-T-sinf -2/i hz2 _z_ 2 (20. We now return to the WKB-like solution (20. x . Recalling that we have shifted the potential by 7r/2.

40) can be written ^ ~ AJ^e~hz'2 + A~(i2hl^2zTlehz'2.e. (20. 1 2 4 1 2 8h ^^2 2 (20.38) can be written TAWKB (20.e. and hence (adding and subtracting equal terms) D-i(i2hV2z') = ^[D^h^z') + D_1{-i2h1/2z')} Z + hD_1(i2hl''1z') = \V2^D0(2h^2z') Z D_l{-i2hll2z1)] D^(-i2hl/2z')} + hD-iWh^z1) + -[D^i(i2hl/2z') Z ^D0(2hl/2z') Z . (20. with c\ = exp(—2h) from above.3 Cosine Potential: Complex Eigenvalues Thus for v = 0 we have DQ(w) = —j=[D-\(iw) V 27T 485 + D-i(-iw)] = real.46). We derive the general result in the next subsection using our own method.43) Comparing now Eqs. (20. (20.2/.44) = DQ{2h / z) ± -(2h7r) / e. .39) and (20.1/V)_le^_ Z With this result Eq. J Hence Eq. for both even and odd harmonic oscillator wave functions around z — 0 with qo > 1) is nontrivial. (20. i.complex conjugate] (2Q42) (2032) y / | Z e _ ^ + 2(.20.45) Comparing this result with tps of Eq.46) Repeating these calculations for the general case (i.^-. A = ±i4/l1/2e-4h ^| t c2 = T i2(2/ivr) 1 /2 e -6/ l . The general result stated by Stone and Reeve [262] is therefore presumably guessed.43) we obtain. (20. ^'ml-iw <2a47) For qo = 1 we recover the result (20.34) we obtain E2 = i%\ = ±ih22Qe~8h.

(20.) + 7T V> = o. H. at z = TT/2. harmonic osc -71/2 E>V / E<V z+ O \ E>V TC/2 \ \ . Wiedemann [4].46) we consider a half period of the cosine potential as illustrated in Fig.486 20. i. 20. W. the result is formula (334) there. 20. Fig. Eq. V(z) .5 The cosine potential from — TT/2 to n/2.e.*. We have to impose two sets of boundary conditions. •+(=)-* V-(f) -0.5.Ah2 ( z + .20a). Achuthan.e. Considering the original equation.3. i. Large Order Behaviour of Perturbation Decaying excited states Expansions For our derivation of the generalization** of Eq.E curre it \ j. i. 20. Miiller-Kirsten and A. (20. (20. Thus in the immediate neighbourhood of z behaves as 2 1 2 ip ~ e ±i(E+2h ) / z ~ e -7r/2 the wave function i^{z) ±i(2hq)1/2z **We follow P.48) These conditions provide the required quantum number qo = 2n + 1. At the minimum to the right of the barrier shown in Fig. .e.2 CHAPTER 20. J. and expanding cos 2z around the point z = — TT/2.z. On the other side of the barrier at z = —TT/2 we consider different boundary conditions.5. we impose the usual type of boundary conditions as for the minimum of a simple harmonic oscillator there.(|)#0. •_(:)*<>. this equation may be approximated there as d2ip ~dz^ + E + 2h2 .

(A) Boundary conditions at the right minimum We begin with the evaluation of the boundary conditions at z = 7r/2. we demand that ^(*)L<-.49) This is a complex boundary condition which requires the coefficient of the other exponential in ip±(z) (continued to and beyond — 7r/2) to vanish. (20.Hz^+Ol^ Bq[w(z)}+0 h1'2 (20. Proceeding as in our previous cases and substituting the expression (20.3 Cosine Potential: Complex Eigenvalues 487 (using Eq. for COS I -Z ± -7T 1 1 2 4 >o^\ The second pair of solutions is ipB(z) -J2hsmz B. we have IPA(Z) „2hsinz Aq{z) + O il>A(q.51b) 2i(«-1)[i(9-l)]'. B and C.20.51a) where H Bq[w(z)} w(z) = h(«-v (w) Bq[w(z)} = Bq[w(-z)}.r/2 ~ e -i(2hq) V 2 . (20.-h.21)). Recapitulating these from Chapter 17. three pairs of solutions of types named A.50a) V'AfeM) = where (the second expression is needed for later comparison) Aq(z) cos§(9-i)(iz + lyr) + W) [ t a n (±z + W)]-«/ 2 [sin(i* + ±TT) C O S ( ^ + ±vr)] V' ' sinfr+Vaz (20. For particles or probability to leak through the potential barrier from the trough at z = —ir/2 in the direction of negative values of z where we choose the potential to be zero. (20.50b) which are valid as asymptotically decreasing expansions in the domain away from a minimum.' 4 / 1 1 / 2 COS ( -Z + -7T \2 4 . as shown earlier.21) into the Mathieu equation we obtain. (20.z). For the continuation we use again the WKB formalism.h.e.-z)=tpA(-q. i.

54) The even and odd solutions are defined as iP±(z) = -tyA(z)±iPA(z)}.52b) The first solution is valid asymptotically around z = —vr/2. ^ W H . (20. These solutions are valid asymptotically with the first in the domain around z = ir/2 and the second in the domain around z = —ir/2.488 CHAPTER 20.48) and proceeding as in Chapter 17. Finally the third pair of solutions is Cq[w(-z)}+0 Cq[w(-z)}+0 Cq[w(-z)} where Cq[w(z)} = 22(9+1) •((7-3) 1 h1/2 1 hW> (20.=F2 2\1/2{28h2y/4e~Ah l + O (20. the relation q . \vw). (20. We saw in Chapter 17 that some of these solutions can be matched in regions of common validity. Thus we have IPB(Z) = aipA(z) and VcO*) = O ^ A O 2 ) . i.e.52a) = Cq[w(z)}. Here the upper sign refers to the even states and the lower to the odd states.53) where a (8M («-!)]« 1 + 0 { \ a = 1 (8/i) K9+ ) l + O (20.qo . we obtain our first transcendental equation.56) Applying the boundary conditions (20. Large Order Behaviour of Perturbation Expansions the function H!/{w) being a Hermite function. 5.55) Extending these solutions to the domain around the minimum at z = 7r/2.57) where go = 1) 3. We return to this condition after derivation of the .^ i . we obtain 1>±W = \ a a (20. (20. and the second around z = 7r/2.

e x p ( .58) Ignoring the correction A / 8 . . D. (20. Friedman [40].01.[ [Ah cos z . I^A(Z) overlap parts of the domains of validity of these solutions. (B) Boundary condition at the left minimum The solutions of type A have been matched to the oscillator-type solutions at the right minimum.3 Cosine Potential: Complex Eigenvalues 489 second transcendental equation from the boundary condition at the other minimum. Inserting the approximate form of the eigenvalue into the Schrodinger equation we obtain dz2 + 2hq+ — .2hq] / dz) We know that the solutions I/JA{Z). and we obtain the proportionality by appropriate expansion.61) [Ah2 cos2 z-2hq]1/2dz. Jz+ ' T In principle the integral could be evaluated exactly — see P. p.e. Thereafter we extend the latter across the turning point down to periodic WKB solutions.67). F.Ah2 cos2 z ~ 0.20. i. Byrd and M. we see that the turning points at z± are given by 2hq . 163 — but here we are interested in the WKB solution in a domain where it is proportional to a solution of type A. Some nontrivial manipulations are again required to uncover the generation of important factorials. formula 280.Ah2 cos2 z ip = 0. The solutions of type A are valid to the right as well as to the left of the maximum of the barrier. r ywKBlZJ ~ ~ — [4/i2cos2 -2/i ]i/4 2 9 z 2 2 e x p ( £ [Ah2 cos2 z - 2hq]ll2dz) ' 1 2 . We begin therefore with the matching of V'WKB ( Z ) to IPA{Z) and integ rait* V'WKB (Z) to I=f V'AW- Hence it is necessary to consider the elliptic (20. These then provide complex exponentials like (20. Our procedure now is to match these to exponential WKB solutions. as we shall see with the result of Eq.5 9 ) The WKB solutions to the right of z+ (where V > $IE to the left of the maximum of the barrier) are given by ttw .49) and we can apply our boundary condition. C O S 1/2 ^" (l) ± ' -2<2+<2- (2 °. (20.

Large Order Behaviour of Perturbation Expansions Since cos(z + n/2) = — sin z. (20. We have for the following expression contained in (20.490 CHAPTER 20. (20.62) as follows.63) We handle the logarithmic terms in Eq.) +0 z+ IT Inserting this into the integral I. Jz++7r/2 \ 1/2 2 V Integrating this becomes z+(ir/2) 2/i h 2 Z+ V IT 2h 4/i In ^ + 1/2 zA 2h 2 2h I ln z+ i) ( I 1/2 2 + 2+ 2 1/2 2/i J (20.» _ i y v .62) where we set — in accordance with our expansion *+ + 2 IT 1/2 <? + (20.59) 2h COS Z+ - ~ 0. 2/i In the same spirit we can set h[z + l 2h 1 — cosi I z + — 7r 2/i[l + sin z\.cos2 ( z+^-) = (z+ .sin2 z = l . we obtain f ~ I = = 2 1/2 Ah [z + 1 2hq + o\h \z+- 2 dz J Z+ 2h I /MH)' dz 1/2 1/2 2h 2/i /•«"(. we write cos2 z = l .64) . using the relation 1 + sin z = 2sin2(2i/2 + 7r/4).62): L: = In ~ and hence L = ln In * f 2(z + f) {q/2hyn + + (* I In + 1/2 1/2 2hj 2 In In 2h 4(1 + sin z) (g/2/i)V2 cos z' 2(z + f) (qphy/^z+Z) !sin2(f + f) ( 9 /2fc) /22sin(§ + f)cos(§ + ^2 ' 1 4- = ln 4tan(f + f (9/2MV2 (20.

68) ' T h e use of Stirling's formula here and below — essential to obtain factorials — assumes q to be large so that corresponding corrections would have to be calculated.+ qj V2 4 A.67) (27r) /22«+5(4/i2)V4V^y The last expression is again obtained with the help of Stirling's approximation. 1/2 (20. we obtain I ~ 2h + 2hsm z Hence exp 491 V^m 2h\~'I z TT 4 — tan .^ Proceeding similarly with the other WKB solution we obtain rWKB (z) ~ e x p ( .65) [Z[4h 2cos2z-2hq]1/2d< e2he2hsin ^e-g/4(g/2/t)g/4 2<?[tan(§ + f )}i/2 (20. (4^2)i/4 [ i( g _3)] ! V/ l (20.50a) and (20. on using in the second step Eqs. (20.3 Cosine Potential: Complex Eigenvalues Inserting the relations (20.20. <$&?(*) e2he2hsinze-i/4(q/2h)i/4[tan(% + l)]'q/2 2?(4/i 2 ) 1 /4{2sin(f + f)cos(f + f ) } 1 / 2 e2he-q/A(q/4y/4 /2\q/4 .64) into Eq.66) The WKB solution therefore becomes (approximating the denominator of (20.50b). . (20. ./ * [Ah2 cos2 z IZ+ 2hq\l/2dz) + f )]«/ 2 (4/i 2 COS2 z)V4 e-2he-2hsm zeq/4(q/2h)-i/4[tan(% /2^~Q/4 (4/i 2 )V42-9{2sin(f + f ) c o s ( f + f)}V2 ^-27*29-1 (4/l )V4 e -?/4( g / 4 ) 9 /4 ^ J e" ^^(2TT) /2 2 1 2 ^ ) / 4 /2\-" - . but mention that for q an odd integer: j(9-D l + O and 1 r(9-3) -4(9+1) ! = ±7I .63) and (20. 2*4(4tf)V« W ^ e-[l( V D]! 1 /2y^ (20.62). . We ignore this here.60) by (4h2 cos2 z)1!4).

. (14. where _ 1 + [±) -*) + £ (20.U ^K^.i ( 2 / i g ) 1 / 2 ( z + .2 [ ? ) Imposing the boundary condition (20. Large Order Behaviour of Perturbation Expansions again using the Stirling formula. S1H (2/ KZ ) / (z f 2 (2^).™) . 1 2 1 ±-2 .2 f e (27r) 1 / 2 (16/t 2 ) 1 / 4 2 (2/wz)V4[i(9_i)]! cos (2M1/2(^-^)+4 7T .T 7 77 r )V2 /4(2 . i 27r(8^/ 4 2/t /4 ' r-(±) .e 2[J(«-l)]l[j(?-3)]! i l[|(g-3)]!e (20.?/ e^2 /2(4/ l 2)i/4 [ i ±2 (^)V^ 4 1 (g _ 3)]! (/]Z+) ^WKBW- Inserting here the oscillatory W K B expressions (cf.z)}]. we obtain l(8/i)g/ 4 e. we obtain T _ ( ± ) = 0.—-^ (2^)^(16^2)1/4^ ^ _ _ [T+(±)exp{i(2/ig)1/2(z+_z)} 2(2/ig)V4 + r _ ( ± ) e x p { .49).55) and match these to the oscillatory W K B solutions V'WKE:( Z ) > V'WKB (Z) t o the left of the turning point at z+. io(8/*)-g/V^i6ft2)V4[±(g-3)]! . Thus with IPA(Z) and TPA(Z) taken from Eqs. We now return to the even and odd wave functions defined by Eq.50)). i.69) l(8M9/4e-2^ \2 [ i ( g .49).KW4^8 4 . (20.1 ) ] ! 1 (8/Qg/ e4 2fe l[|(g-3)]!e^ .l^l !T ^^* T2 7 r ( ^^ /.68) we obtain ^±(z) = obpA{z)±t/JA{z) l/^y/4e-2fe(27r)1/22^^(4/i2)1/4 1 « llfh\-^e^[l(q-3)]\2-^ ± /(r. (14. (20. Eqs.67) and (20.z+)/ VWKBW 2\2j (2^72 l(8^/4e-2fe(27r)i/22V2(4fr2)V4 2 < nz+) ^WKBW [\{q-l)]\ 1 (8/i).+) + B^) HAh^/\ir.492 CHAPTER 20.

Ex = -2h2 + 2hq0 + A 1 (<? .57) by the left hand side of Eq.25)) E = A = Ei + E2. the result (20. for q an integer both sides are imaginary.73) Inserting this expression into A = E(q.72) is our second transcendental equation. Eqs.h) + i l + O '4{[^o-l)]!}2 E(q0. (20. i.20. (20. (20.3 R e l a t i n g t h e level splitting t o imaginary E We can compare the results of the two problems with the cosine potential and the same solutions but with different boundary conditions. who derived it for qo = 1 and guessed the form for general values of qo.3 Cosine Potential: Complex Eigenvalues Using the duplication formula \{1-l) this becomes 7rV 493 \ ^ . we obtain E(q. Equation (20.75) .21) expanded about q = qo. (20. h) of Eq. in fact.72) we obtain q-qo q0fiSh 2(16/i)*>e {[!(<?<)-I)]!} 2 1+ 0 (20. Combining these equations by replacing (28/i2)<?/4 in Eq.h) + (q-q0)( BE — 90 E{qQ.h)+i%Ego.h)+2h(q-q0) (16h)i°+le'Sh E(qQ. 20.57) and (20.26).3 ) I = }(»-« !7rl/22-I(.47). (20.e. (20. (20.74) This result agrees with that of Stone and Reeve [262].h) = = E(q0. Eqs.72) We observe that with the square root as on the right hand side both sides are complex.72). We now have the two equations which have to be satisfied.3.-l)j /2 e-4fe(162/t2)^4_±l or ±i 7r\ 1/2 (16 2 /i 2 )9/ 4 e. (17.4h (16 2 /» 2 )9/ 4 (9-1)]! = (16 2 /i 2 )«/ 4 = (-16/i) 9 / 2 . In both cases we wrote (cf.qo) El Ah' (20.

20. 25Eqo=8h[ 2\1/2 . i=l We can calculate Ai for large i from the relation Ai = * Jo 1 P°° ti^QE^dti (20.9) the coefficients Ai of its perturbation expansion. we recall that we obtained there for the difference 25Eqo between levels with the same oscillator quantum number qo. the discontinuity across its cut from zero to infinity.* The existence of a formula of this type was conjectured without an explicit derivation like that given here and only for the ground state.+ | . We had A= or _2ft2 + 2ft. we can obtain the imaginary part calculated above from the formula 4 (H) A ^ o = 27ri(<5£90)2. For definiteness we recall the appropriate expansions together with the definition of coefficients Aj. W. we can recalculate with the help of Eq.I g | ± l ( 2 „.2 below. .76) he Thus SEqo is the deviation of one of these levels from the harmonic oscillator of level.W [£(90-1)]! < (20. 7 8 ) i=l V . (20. B. Large Order Behaviour of Perturbation Expansions Referring back to the calculation of the level splitting with selfadjoint boundary conditions. The same formula can be derived in the case of the double well potential.3. A.) {I6h)™/2e-4h 1 + . Eq. (20.77) One can say that this simple relation summarizes the intricate connections between the discontinuity of the eigenenergy across its cut. Wiedemann [4] and Example 20. A = .494 CHAPTER 20. (17. f E . its tunneling properties and the large order behaviour.80) *P. Achuthan. Miiller-Kirsten and A. i. * It would be interesting to see a derivation of the formula — reminiscent of an optical theorem — from first principles. Setting ng AEqo:=2iSfEqo. Fateyev [26].74b). cf.4 R e c a l c u l a t i o n of large order behaviour Now that we have obtained QE. by others.e. J. H. Bogomol'nyi and V.

But as Dingle remarks. Muller-Kirsten [200]. (20. B. (20.1). W. the integration is seen to give (20. J). there is nothing special about this case. *R. Using again n = -(go . a = J + \<1> (20-84) .t We consider again the periodic cosine potential with (unnormalized) eigenfunction expansion oo . and the method can be applied in many other cases.19) for the large values of i under consideration here. f H .4 Cosine Potential: Another Method of Calculation 495 with $$E(h) given by Eq.74).20. (20. J.3 ) P i _ 1 ( c ? .j + 1). (20.j) + {q + 4j + l)(q + 4j + 3)Pi-1(q.l ) +2[(q + 4j)2 + l + A}Pi_1(q. (20.81) We observe that this result agrees with the result of Eq.13) and the coefficients M2i or M2i+i of the eigenvalue expansion can be expressed in terms of these as in Eq.l ) ( < ? + 4 j .13) out again: jPiiQj) = (g + 4 j ..14). We sketch this method here slightly modified and extend it to the final formula for comparison with our previous results.j) satisfy the recurrence relation (20. i ^ = ^ + E?27MT E ^ifoj^W (20-82) The coefficients Pi(q. For convenience we write Eq. The integral is recognized to be of the type of the integral representation of the gamma function. 20. j .83) One now sets ftH = ( 2 % P * ( 9 . so that an exact Borel summation is not possible. Dingle [74].4 Cosine Potential: A Different Calculation A further very instructive method of obtaining the large order behaviour of a perturbation expansion was found by Dingle* in application to the case of the cosine potential or Mathieu equation. We also observe that these terms do not alternate in sign.

a R .(a) oc --. formula 13.87) Taking terms of 0(h~l+1) of this equation. Now. A.4. (20. 0 4j(4j + 2g) pi_i(a .90) See M.l.g. Whittaker functions WKjfl.e.^(Z). i.z)WaA/2(z) Setting V.1) + 2 P i _i(a) + Pi_i(a + 1).h) = ^2pi(a) with p. g < 4 j . (20.ll{z)= L .85).496 CHAPTER 20. which are solutions of the differential equation known as Whittaker's equation. i. z2 (20. Large Order Behaviour of Perturbation Expansions and considers large values of j for large values of i.e.1/2(z) (a-1)! (20. p(a. d2WKh dz2 + 1 4 K z z-M2n WKtll = 0. (20.91) + Wa+lil/2(z) = (1 . 1 | 1 / 2 (4 (20.h) 2+ 8h a p(a. Abramowitz and I.85) implies p(a . (with a = j + g/2 in the coefficients) 8/? —Pi(a) = P i _x(a . the recurrence relation (20. (q + 4j) 2 ~ 4j(4j + 2g).86) one can convince oneself that Eq. Taking dominant terms.l/2l Wa.27h pi(a) a = 4j(4j + 2 g . 4j(4j + 2g + 4) + / . (20.31. (20.h) +p(a + l. (20.h). we obtain (2a . Stegun [1].4 ) ^ . nx pi_i(a + l).1) + 2 (a — 1) a . a.83) can be written j . we regain Eq. e.K + ^ ] L + K-^)WK.e.85) Considering now the generating function of the perturbation coefficients.88) satisfy among other relations the following recurrence relation which is of significance in the present context-t {2K-z)WK>li{z) + WK+1. . Pi(a) i.89) Replacing here K by a and \x by 1/2.

Tl ss\{-a)\{-a-l)\ (-z) s=0 s — a)\(s — a — 1)! for |z| — oo.(« .\)V . > > ^See W. (20. > (20. 89.i/2(z) + Va+lA/2(z) = 497 2+ Va.84)) {8h)q/2( -Ah for j < 0.i/2(z). The more precise form obtained from Tables of Special Functions' is w*A* z 2 e / z" n=l [f .h) ~/(fe) ' (a-1)! . i.86) have to be chosen such that p(a. h —-> —h. Dingle discovered the solutions^ p(a. In the present case this means the replacements q — —q. g(h)(20. h) is expressed in descending powers of h. Thus the approximate large-z asymptotic behaviour is WKtp(z) ~ exp •FH V -dz z e ^' 2 exp(/clnz).j — —j.87). another solution is obtained from this by changing the signs of K and z since this leaves the equation unchanged.20. p. . Oberhettinger [181]. We can infer the approximate behaviour of the Whittaker function for large values of z from the differential equation (20. a (20. ^Observe that if one solution of Whittaker's equation (20. h) is expressed in descending powers of z = 8/i.93) (-a-1)! ' where f(h). (20. (20.92) Comparing Eq.g(h) are functions of h which in view of Eq.h) = \~\Pi(&) with pi oc h l. such that p(a.(« .88) which reminds us immediately of a radial Schrodinger equation with Coulomb potential.92) with Eq.„ +1)2] 7 n\z \n which with K = a and /z = 1/2 is: WAz)~e-^z«Y. v .94) Hence to insure that p(a..88) is known. we have to remove a factor (recalling a = j + (7/2 of Eq. (20.(« -1) 2 ]. Magnus and F .e.4 Cosine Potential: Another Method of Calculation we obtain Va-i.

(20.l ) ] ! 11 R. Correspondingly we set for j > 0 / 1 A pla = j + -q. g — —q..95b) Then for j > 0 we obtain from Eq. i).94) with s — s — j : > x = J + y u ( 1)J ~ f (*+&!(*+*?-pi i_ Using the reflection formula (for q = 2n + 1. This expression can be obtained from the recurrence relation (20.1/2(8^) ( . W.84) we conclude that the original coefficients Piiflij) a r e f° r large i given by the following expression — apart from an as yet undetermined proportionality factor cq — We determine cq by imposing as boundary condition the expression for Pi(q. .j _ g / 2 | 1 / 2 ( . J.83) and is given by 1 1 ..95a) Inserting (20. B. Large Order Behaviour of Perturbation Expansions and write / i \ pl<x = j+ 2<7>h) « (8h)~q/2e4h v ^-+9/2. (20.8 / t ) for j > 0. (20. Comparing > > > this result now with Eq. Dingle and H.. j — —j.+ i f or 3 < 0- (20. we obtain the result of Dingle: (20. x 4i[2» + i(« — 1)1! il! [ ^ ( 9 .498 CHAPTER 20.). Muller [74]. 2. n = 0. _ i s.96) and a similar expression for j < 0 with /i — —/i. ^ .94) here we have a series in descending powers of h. this becomes / 1 \ (-1)5'--" ^ U + iq)<(s + iq-1)\ 1 Picking out the term in hrl. h\ oc (-8h)q/2e~4h ( _ .1.

3)]!2 2 '+^.97d) Then the coefficient M<n of the eigenvalue expansion.l) (i+y) 2*%(q-l)}\ [2i + §(g-l)]l i\[i+\q-l]\ ' Inserting this expression into Eq.j) (i + lg)[2i + i ( g . 5. formula 0. M. W. S.14).l ] ! {[. Miiller [74]. l{Q. E* J'=I i+M 2 [2i + 9 . J. i.100) **R.4 Cosine Potential: Another Method of Calculation 499 We observe that Po(q. Gradshteyn and I. formula (30).J)} -2 i=i 2 -[2i+l(q-l)]!22il2 i![i(g-l)]! i (20. A special case of the formula can be found in I. note the misprint there: (r — s) ought to be (r — s)\.97a) we obtain (observe that as required this expression vanishes for j > i) Pi(q. (20.0) = 1 as desired (although not really enforcible for large values of i). (20.e. Ryzhik [122].20. of Eq.98) We evaluate the sum by approximating this to a formula given in the literature ** r \ f R\ __{r + R-l)\ J (r-l)\(R-l)\' E j=0 i.98) the duplication formula 22z-l / y P*-l>'--7J-<*-l)'(»-j»and obtain M-i% + \{q-^)W + \{q. .97c) We assume that in a leading approximation we can cancel the factors (i + \q).1 )/ 2 2 2i ' ^i\{\{q-l)]\ [2i + g .157(4).l ) ] ! 2 M [i + \q)\ i\\l{q-l)]\(J + \q) [j + lq]\[i-j]\- (20. (20. p. Thus ° 9 (i + \q) 2«(i+Ig-l)! p . Dingle and H.l ] ! (20.e. B.99) In the next step we use for both factorials [2i + ^(q — 1)]! in Eq. is M2l = 2j2j[Pi(<l.{j + \<l).-+i?_l]!}2- (20.Then [2i + ±(q-l)}\2* Pi{qJ) [i + \q]\ (20.

.5 20. the result of Bender and Wu [18]. [19].e.86).3 ) ] ! _ 1 Hence M or. Eq.e.o i • . i.]\.101) This formula allows us to cancel all factorials [i.1 Anharmonic Oscillators The inverted double well In Chapter 18 we obtained the imaginary part of the eigenenergy E of the Schrodinger equation for the inverted double well potential.34) that £ is an expansion in ascending powers of h 6 /c 2 . [^ + i ( g . .l l ! with the large i behaviour in agreement with the result (20. Large Order Behaviour of Perturbation Expansions In the following step we use the approximate formula (20.e.5.... i.i ) ] ! [ ^ + | ( g . (18.86) and set (cf.. 20. (18. replacing 2i by i: 2 ^2 8 ^ % + *"*}' (20. since \{q — l) + \{q — 3) = \q.2.e. The imaginary part we obtained is interpreted as effectively the discontinuity of the eigenvalue across its cut from h2 = 0 to infinity. i. i\ M i large 1 . i. i. With this we can now derive the behaviour of the late terms in the largeh2 perturbation expansion of the eigenvalue of the Schrodinger equation for the proper quartic anharmonic oscillator. Eq.81) for q — qo = 2 n + l .e..105 ) the latter because we see from the eigenvalue expansion (18.Am i .-' 1 i • (20. We refer back to Eq.102) Thus the result is M m 1 2«Fi + g .500 CHAPTER 20. n = 0.4)) £ = ^ = ^+ w and y= ^ > ( 20 .1.17). (18.l.

in fact as one with Borel summability in view of the factor ( .e. (20. and then the relation (20. 20. i.107) we obtain (-i)r r 71" JO yirZ£{y')dy'.5 Anharmonic Oscillator The Borel sum can now be formally written 501 (20.l ) r . This can then be compared with the level splitting we obtained for this potential.2 The double well It is clear that one can now proceed and apply a non-selfadjoint boundary condition also in the case of the double well potential and thus obtain the imaginary part of the eigenvalue.110) This is the result in agreement with the large order formula (4.77) can be verified.20. Once this has been obtained one can insert the imaginary part into the Borel transform and obtain the behaviour of the late terms in the eigenvalue expansion. in terms of K where go = 2-ftT + 1.109) or. one obtains the result Mr 2io+hr+1+f (-l)r[r + f ] ! 7T3/2[1((?0-1)]! (20. and hence inserting here the imaginary part from Eq. We leave this to the following Example.e.106) With £= E r=0 Mr (20. (with E = h2£/2) my') = 290+1 (y')9o/2 e -2/'/3 (27r)V2[i(go_i)]!' and integrating with the help of the definition of the factorial or gamma function.108) Proceeding in this way. h2 _ h222K+llHr+K+ll2{-l)r+1 r+ K .86). the discontinuity across its cut. .4) of Bender and Wu [19].5. (18.(20. The result establishes the series unequivocally as an asymptotic series. i.

J. K. *Some of the literature in this field following the work of C. J . H. S. A relation similar t o (20. Gram.Q .6 General Remarks The study of the large order behaviour of perturbation theory has become an individual direction of research. . as in later chapters. Achuthan. W. of International Workshop on Perturbation Theory at Large Order (Florida. It was later explicitly established for the level splittings and imaginary parts of arbitrary states in the cases of the cosine potential and the double well potential. S. t The relation (20. R. *R. + The above investigation of the large order behaviour demonstrates explicitly the intimate connection between the exponentially small nonperturbative effects derivable from the perturbation expansions with boundary conditions (or. Paldus and H. t p . H. V. W. J. Miiller-Kirsten and A. S. (357) to (371). K. Large Order Behaviour of Perturbation Expansions Example 20. Liang and H. " P . V. J. E. Damburg. J. Damburg. Miiller-Kirsten [164]. W. .^ 20. Its usefulness has also been demonstrated there.* A more recent status evaluation is provided by the book of LeGuillou and Zinn-Justin [161]. Cizek. Wiedemann [4]. R. J. [19] can be traced back from articles in the Proc. R. T.2: Late term behaviour of double well eigenvalue expansion Derive for the case of the double well potential — by application of a nonselfadjoint boundary condition (as in the case of the cosine potential) — the imaginary part of its eigenvalue and hence the large order behaviour of the asymptotic expansion of the double well eigenvalue. Bender and T. and is there shown to have a deep meaning (cancellation of the imaginary part of the Borel sum by explicitly imaginary terms in the perturbation expansion). Eqs. Wu [18]. Cizek. J. Miiller-Kirsten and A. Achuthan. Wiedemann [4]. E. J.77) and its possible generality has been referred to by Brezin and Zinn-Justin [36]. 1982) [139].77) was conjectured without explicit derivation and only for the ground state by Bogomol'nyi and Fateyev [26]. M. Solution: For the solution we refer to the literature. J. Harrell. Harris. J. M. Silverstone [52].502 CHAPTER 20. G. J. in t h a t when the quantity on one side is known. Grecchi. J. from p a t h integrals with instanton methods) and the large order behaviour of the perturbation expansions which establishes the latter clearly as asymptotic expansions. it can be used to obtain the other.77) has been obtained in the Schrodinger theory of the molecular hydrogen ion H^ . M. An approach to arrive at the relation via instanton considerations has been examined by Zinn-Justin [292]. Graffi. The relation (20. Paldus. Silverstone [62]. Nakai. Grecchi. J. Harrell. Propin and H. Propin.

R. *R. we digress later a little and consider the path integral also in simple contexts of scalar field theories which can be treated like models in quantum mechanics. Feynman and A.1 Introductory Remarks In this chapter we introduce the path integral formalism developed by Feynman. This formalism is particularly useful for evaluating scattering or transition amplitudes. S. Coulomb problem) we refer to existing literature. Felsager [91]. Probably the most readable introduction. unknown). Chapters 2 and 5. 503 . 'See in particular H. A brief introduction is also contained in R. For the application of path integrals to the hydrogen atom (i. However. however. We illustrate the method here by rederiving the Rutherford scattering formula with this method. P. particularly useful in cases where the behaviour of a system is to be investigated close to its classical path. which explains also difficulties. A further wellknown reference is the book of L. Hibbs [95]. A standard reference is the book of R. The path integral is.* This formalism deals with an ensemble of paths {x(t)} rather than with wave functions and constitutes an alternative to canonical quantization in quantizing a theory.Chapter 21 The P a t h Integral Formalism 21. Feynman [94]. However. ^ Our interest here focusses on quantum mechanics. since in such cases the probability of this system choosing a path far away may be considered to be small. can be found in the book of B. Kleinert [151]. Thus we are in particular interested in rederiving the level splitting formulas obtained in earlier chapters with this method. P. in general. P. Feynman [93]. our main interest in path integrals and their uses will focus thereafter on their evaluation about solutions of classical equations. Schulman [245]. The formalism is not so useful for bound-state problems (in this case the initial wave function is.e. since this illustrates the most important and most frequent use of path integrals in a wide spectrum of applications ranging from field theory to condensed matter physics.

ti).e. the initial time. (21.3) We divide the time interval tf — ti into n + 1 equal infinitesimal elements e such that £() ti = = hi ti + e.ti\tp). we wish to know* ip(xf.x fc _i) 2 2e2 V{xk) Thus: Given xk(tk).5) Sn = X / fc=l mo (zfe .e—»C lim V e -m0xk fc=l - V(xk) = lim n—>oo.e—»0 Sn.504 CHAPTER 21. 2mo dx2 (21.4) so that the time-sliced action S becomes rtf «+i S = / 'ti n+1 dtL = d£L = n—»oo. be ip{x.2) where K is a Green's function. ti) = 5(xf . The Feynman Path Integral Formalism 21.2 P a t h Integrals and Green's Functions The one-dimensional Schrodinger equation for a particle of mass mo moving in a potential V(x) is (with mostly h = c = 1) i d2 + V(x) tff(x. (21.ti)ip(x. The Lagrangian L of a particle of mass mo moving in a potential V(x) in one-time and one-space dimensions is given by L = TV= -m0x2-V(x). */ = U + (n + l)e.tf.tf\x. We are interested to know the wave function tp at a final time tf > ti and position coordinate x = Xf. =J dx(xf. i. U.t). we can compute the action S1. (21.x). Obviously K(xf. x.tf\ip) .1) Let the wave function i/> at time t = ti. (21.tf) = / dxK(xf. ti).ti){x.x. *In Dirac's notation we write this equation later (xf.

1 (for convenience we write in the following in the argument of the exponential frequently S instead of S/h): oo poo po> / -oo dxTl JS/h dx\ I J—oo dx2 ••• J— c X f~ x n+l Fig.28)): f dr\ exp ia a) ' (21.t).1 A path in (x.2 The Path Integral and Green's Functions 505 Above we considered time intervals of length e.6a) . as will be shown to be possible below. Here and in the following we need one or the other of the following integrals (cf. Thus there is a countless number of possible paths that the system may choose in propagating from its initial position at (xi.ti) to its final position at (xf. 21.21. The repetition of the quadratic factors in the argument of the exponential with indices differing by 1 suggests the construction of a recurrence relation. 21. We now consider intervals in position coordinates and in particular the following integral over intermediate position coordinates Xk which corresponds to the sum of exp(iS/h) over the uncountable number of possible paths from Xi — XQ to Xf = xn+i. the Fresnel integral (13. The multiple integral involves individual integrals like f dxk exp Xk)2 + {xk -Zfc-i) 2 } with Xk contained in the step up to this point and in the step away from it.tf). The usefulness of the method therefore depends on the fact that some paths are more probable than others. of which one is illustrated in Fig.

One therefore removes the troublesome factor by defining (Sn being the sum in Eq. ie f me\ 2a\a~) 1/2 (21. with f™ dze"™ 2 * 2 / 2 = s/2ir/w2.506 CHAPTER 21. The Feynman ia Path Integral Formalism f J—c J dr) r\ exp -v = 0. tf > U. (21.2 + (x + x f c + 1 . for example.0 ^7 (x f c + i .m0 .t ~Xk+l> + xk+i 2 ) +{xk .(x fc+ i .x f c _ i ) 5 \m0 J (21..6c) In the evaluation of these integrals we replace a by a + ifi.xk+x oo —oo oo .z f c _i) 2 } } .8) Note t h a t in spite of the n integrations. n > 0... J—oo dxneiS/h — • 0.6b) —c ia o drjr] e x p—V € (21.Zfc-i) 2 } I +-{xk+i -x*.5)): G(xf.37)) dxk exp d(xk .tf. dx exp z—{a.xk_i) dx exp i — { 2 a .* W i t h the first of these integrals we obtain (compare the result with the Green's function (7.xk+i) exp . We then integrate and finally let /x go to zero. 2 + 2a.-ir 1/2 £dxeXp[i^{2(3 dxexp\i—<2lx+ 72 iV(e) exp Z7TT.s f c _i) + (xk+i .7) Thus we expect t h a t — in view of the multiplicative y/e here in front of the phase factor — in the limit e — 0 > oo />oo /•oo / dxi -oo / J—oo dx2. one has j ^ dr1eif-a+i^ /£ = .mQf Xk L ~2e^ ^ . dxneiSn/n. (21. the power n + 1 in the denominator has t o be seen in conjunction with the n + 1 terms in the sum of Sn in "Thus.Xi.ti) '•= f g m ) (N(€\]n+i dxL.

In the expression rx" / ?){x}eiI{-^ Jx the quantity x" is only a symbol to indicate the endpoint of the path. (21.e. .Xi. i. nor the limit of integration of some variable Xi. which all vary from —oo to oo. (21. However.tf. p. B.Xi.7) for n — 1) to give a time interval. Different constructions of these families of paths usually lead to different measures. 11 For discussions see e.e.5).g. It is neither a variable of integration in T){x} —> Ylndxn.tf. The additional factor is needed later to combine with the number n contained in the extra factor y/n + 1 (in Eq. (21.U) = / JXi=x(ti) = K(xf. i.21. These integrations are indicated by the horizontal arrows in Fig. in fact.t In the following we demonstrate that the function constructed in this way is.Xi. summation over all possible paths. and will therefore not be attempted here. The consideration of the denumerable number of possible paths connecting the particle's initial position with its final position may be handled in a number of different ways. p.tf. (21.ti) For tf > ti we now write* G(xf. G(xf. the Green's function K of Eq.24). Felsager [91]. B. as in our discretization in Eq.10) can be looked at as the product of a succession of free particle Green's functions (or propagators). we arrive at a path integral without the measure factor N(e) above.2 The Path Integral and Green's Functions 507 Eq. § See e.ti) for tf > U. (21. We shall see later (with Eq.§ The factor [iV(e)]_(n+1) associated with the multiple integration is described as its measure.5). Thus one first integrates over x\ from — oo to oo and obtains an exponential involving (x2 — xo)2. it may be noted that with a different philosophy concerning the summation over paths.2).1.26)) that — ignoring the potential — the multiple integral (21. Felsager [91]. 21. 183.g. however prefixed with a new factor. 183.9) T>{x{t)}eiS/h = ^ww^Idxl---IdXnelSn/h-(2L10) This is the formula originally given by Feynman. and so on.' These factors N(e) were introduced to cancel corresponding factors arising from the Fresnel (or Gaussian) integration. See the square root in front of the exponential in Eq. (21. (21. A mathematically rigorous definition of the path integral is difficult and beyond the scope of our present aims. Then one integrates over X2 from —oo to oo and obtains an exponential involving (x^ — XQ)2.

we have See.U) imo 2 G(xn+i W)Idr. Then we have on the right the factor G{x+rj). One way to avoid this problem with the integration measure is to consider the ratio of two path integrals.tf + e. so that the piecewise linear paths fill the entire space of paths.Xi. Consider a time t = tf + e for position Xf = xn+2. 187 . 16 x2 -Sn+l) \ 7T2~(Xn+2 -V(xn+2) Setting now xn+\ — xn+2 = n. the other with that of the action of the free particle SQ. (23. . one with the full action S.xi. I We employ this method later in Example 23. 21. (21.exp 2e n -ieV(xn+2) G(xn+2 + V. however. The Feynman Path Integral Formalism The factors N(e) can be avoided by instead summing over piecewise linear paths.188. Then the measure drops out. Performing the sum now in the sense of summing and hence integrating over the vertex coordinates in Fig.Xi.ti) = 1 j^p: f°° cte n +iexp } • fm0. the discussion in B.ti. we have G(xn+2. We next determine the equation satisfied by G in order to verify that this is indeed the Green's function for tf > t{.508 CHAPTER 21.tf.74)). Each of these linear pieces is completely characterized by its endpoints. It is for these reasons that — unless required — the measure is frequently ignored. Thus consider an arbitrary continuous path connecting the endpoints and use the time divison as above but now connect the intermediate points with straight lines.tf + e.xi. We have G(xn+2. Felsager [91].Then we can construct a recurrence relation as follows.ti). and one is calculating the Feynman amplitude or kernel relative to that of the free theory.3 in the evaluation of I a specific path integral (see Eqs. Expanding this in a Taylor series around x.72) to (23. we obtain the same as before except that there is no factor N(e).11) For reasons of transparency in the next few steps we replace xn+2 by x and suppress temporarily tf.1 and allowing n to go to infinity. pp.

It follows that ip(xf.xi.Xi. (21. tf.xi.ti)ip(x.tf)= dxG(xf.13) We integrate with the help of the integrals (21.Xi.16) .xi.tf + e.tf''Xi.ieV(x) + ri< —G(x.xi.Xi.ti)\ .14) = G(x. ti) satisfies the time-dependent Schrodinger equation.Xi. U) + .tf. Retaining only terms up to those linear in e. tf.x.U + 0(e ).tf.tf.Xi.6c). we obtain: G(x.tf + e.tf.ti) 2 —l€ — ^2 + V(x)G(x.tf.xi.Xi. U) . d and this means d i—G(x.2 The Path Integral and Green's Functions so that G(x.tf.t Thus + 0(e2 (21.Xi.xi.ti) = G(x. tf. 2mo dx2 (21.ie 1 d2 2nV0dx^G{X. U) + Q(e2 = (l-ieV(x) + 0(e2)) G{x.ti) = j^rr dnexp I -^-rj1 .tf.tf.21.G(x. U) = e-^-G + 0(e 2 ) dtf 1 d2G(x.xi.U).6a). Xi.ti) .Xi.U) +••• \ 509 G(x.tf.ti) +V(x)G(x.Xi.6b) and (21.ti) = 1 d2 + V(x) G(x.15) We see that G(x. .tf.tf + e.U -ieV(x) 2i7re\ 1 / 2 m0 ie d2 G(x.— p G ( j .ti) N(e) or G(x.tf.(21.ti) +\if(^G{x.xi. tf + e.ti) for tf > ti (21. tf.

21. K0 = 9(tf . In a problem where V is small it is convenient to calculate K with a perturbation method. X U) = i6{Xf ' ~ X)6{tf " U)' (2L19) Thus K is the Green's function for the problem of the Schrodinger equation.U).3.U) = / T){x} eiS\ [fdt \mx2. We have therefore established that the Feynman integral (21.510 CHAPTER 21.tf. Hence our original function K is the same as G. or K(xf.U) = G(xf. denoted by KQ.3 The Green's Function for Potential V=0 We now calculate the Green's function K for potential V = 0. It follows therefore that {{W ~V+2m~0~^) K{Xh t/. Thus we consider here the zeroth order of the latter case and begin with the configuration space representation of this free particle Green's function.x. as this is also called. The result.U.8)) Go(xf. (21.tf. now called So. Eq. The function G which satisfies the time-dependent Schrodinger equation (21.16). 21.x.1)).10) is indeed to be identified with the timedependent Green's function. (21. as may be verified by inserting this into Eq.ti) = = 9{tf-ti)—G + G5(tf-ti) .Xi.U)G0. Eq. and the Green's function KQ\ S0= Here (cf.ti) = 5(xj — x).x. (21.U)6(tf .*<)' ( 2 L 1 8 ) 0(tf ~ li)-QfG + 5(Xf ~ X)5^f since G(xf.tf.17) Differentiating K with respect to tf we obtain —K(xf.15) is a wave function (cf. (21.tf. The Feynman Path Integral Formalism also satisfies the time-dependent Schrodinger equation.1 Configuration space representation In the case of V = 0 we have from the previous section for the action. (21.20) . is the Fourier transform of the nonrelativistic propagator.x.

ti)9(t).Xi.23) for Go and obtain Go(xf.t) K0(x. (21. exp 2 (21.ti) = V = 0 511 m0 lim n—>oo \ 2irie oo (n+l)/2 /-oo oo /*o / dx2...tf. (21.7) for here n = 1 (n+l)/2 lim ( —^~ K2meJ m /n A = 0 V 2e (21.t) = ( m0 \2mt 1/2 irriQ and writing x = Xf — Xi.ti)= iX (o. f c . (21. Then Go(xf.3 The Green's Function for Potential and hence Go{xf. In Example 21. (7. we have Go(xf.Xi.8). We obtained the same expression previously — see Eq./ . TJ+1 dxn exp[i\{(xi 2 — XQ) + • • ^n) }] (21.22) • \ n/2 -.oo /*oo / -oo cfcci / J—oo cfcc2 • • • / J—oo + (x.tf. n + i .1 we show t h a t oo /.Xi) exp \2-Kie{n + 1) 2e(n + 1) Note the square root factor in front which originates as discussed after Eq.tf. -oo dxi 71+1 / J—c /_ dxn exp oo irriQ -oo ~27 ^](a.21) fe=l and t = (n + l)e = tf — U and h = 1.25) T h e quantity Ko(x.37) — by explicit solution of the differential equation which the Green's function satisfies.ti) lim n^oo lim n->oo m0\(?1+1)/V27rie\"/2 1 z —— exp 2e(n + l )-(a.21.t) is the configuration space representation of the free particle (V — 0) nonrelativistic Green's function.x 0 )" n + 1 (in agreement with Eq.Xi.24) ( s / .tf.i ) 2 .Z i ) \2-KieJ \m0 J y/n + 1 1/2 m0 «mo (21.ti) Ko(xf.tf. 2t Go(xf.ti) = = G0(x.Xi.Xi.23) We now insert our expression for In into Eq.Xi. exp where Xj = xo and Xf = xn+\ and there k = 1).z / c . . But t = tf — ti = (n + l)e.tf. (21.

t0) (21.xi)2 = 21 xi ^2-o(„.xo)2 + (x2 .^(-Xn+1~X0^2+iX(-Xn+2~Xn+1^'i._*R±HY+l_{xo_X2f J —! r dXieiM(xl-xo)2 + (x2~xi)2 ei^(x2-x0) and using Eq. or else by induction.x0. as / JXi f r D{x{t)}eiS°lh . (n + l)A"_ We set y := x n +i — Xi = x n +i — XQ and (x n + 2 . n+l = lim / n ^{a^jexp fc=i ^°° Jxi = lim / • • • / dx\dxi • • • dxn I —1 n-Kx J J \2mneJ / \ 1/2 . In our proof of induction we assume the result is correct for n.ti. For n = 1 (see below) h This result can be verified like Eq.1: Evaluation of a path integral Verify Eq.e. e 2he ^{Xn+l-Xn)2 = \2iriheJ lim ••• n^ooJ J x(^*-) e^(---) .54).x „ + i ) 2 = ( x n + 2 -Xi + Xi .512 CHAPTER 21.6a).)!}| J — OO . (21.22) -oo Indxn+leiX<-x"+*-x»+^ 1/2 f°° dxn+ie^:. ••• 2 / \ 1/2 \2iriheJ dxldx2•••dxnK0(xn+l.tn+l•xn.. Then oo 2 / (21. (21.25) we can rewrite the Feynman path integral or kernel (21.x ^ 2 + y2 . The Feynman Path Integral Formalism We can now see the group property of the Green's function or propagator by observing that with the result (21. Solution: The result can be obtained by cumbersome integration.. If the potential V(x) of Eq. ^ (xi .)+(1"+2-.2y(xn+2 . (7.10) in a product form. i. the latter being a Green's function with interaction like that for the harmonic oscillator. (21.an) Then n I 1/2 (n + 1)A" "I 1/2 fX r i-oo ^n + dxn+1eiX{^+v2-y2Hx"+2--x"+1 l ) 2 } J —OO (n + l)A n «ix„+1ea(Sl»2-2»lI«^-I.22). Example 21.7) by direct integration with ^ .5) is carried along.26) with n integrations and n + l factors KQ. we have instead of 5*0 and KQ expressions S and K.x „ + i ) 2 = (x„ + 2 .tn)••• K0(xi.f_^y e. Eq. (21.

This quantity is also described as the nonrelativistic free particle propagator.max exp i 2t 6(t) 1/2 \2mtJ f°° 2-KimQ J dp exp J—c ipx P -t 2mo (21.e. A(n + 2) 21. and + 2 2 l n + 2 ( x n + 2 . 21. rc+2 rl 1 / s2 513 so that n dz = dy = d i n + i . n+l T h u s as r e q u i r e d 1/2 Jn+l ^ e J — oo 1/2 . (21. (n+l)A n n j(a.25): Ko{xJ) = = (S) e{t)(^X'2 y J .i) H —-3/ .n+2-a. i.Q ..2 y ( a . e > 0 .2 M o m e n t u m space represenation Our next task is to derive the momentum space representation of the free particle Green's function KQ.29) Hence with KQ from Eq.28) exp (— V 2irimo J —( dp exp ipx — i p* 2mo (21. ) H — (xn+2-Xi) n+2 n+l n+2 -y2 .21. We pass over to momentum space with the help of the following two integrals. The first. n + 2 . iir(n + 1) 1/2 jn+1 n+l L(n + 2)A'n + l I 1/2 4 (n + l ) A .27) we have (with a = -t/2m0) . a dp exp [ipx + iap2] = exp — i(21.3 The Green's Function for Potential V = 0 Next we set z : re+1 (x -)-2 — Xj).i j ) H n +— z 1 .2.i) .30a) —6(t) / dp exp ipx — to J-oo 1 i-—t 2m. Using Eq.6a). 0(t) Ti: i r Art alr- This integral can be verified by applying Cauchy's residue theorem in the plane of complex r and using one or the other of the contours shown in Fig.2y(xn+2 . (21. (21.a . it -. s 2 n + 2 2 „ / ^ n + 1 / \2 -(x„+2-a. The second integral is an integral representation of the step function.x2rriQ 1/2 toij_.27) '4a in can be verified by completing the square in the argument of the exponential in the integrand to ia(p + x/2a)2 and using Eq. (21.3.Xi) + ( x n + 2 Xi)2.

-*' where 2mo — r.31) is the nonrelativistic propagator which describes the propagation of the free particle (V — 0) wave function.e. ( 3 b) ° The expression E+ V — it 2m. The first order correction contains one factor of the potential V. The generalization to three space dimensions (required below in Eq. This is the type of expansion most people describe as perturbation theory. The Feynman Path Integral Formalism Im t \t>0 Rex Fig.514 CHAPTER 21.t) i(2- h?L L E iv 00 dr exnlipx T '2mo t + itr] — te ~U2^LdPJ ^-E+£.Q (21. Thus in first .4 Including V in First Order Perturbation We now proceed to calculate the first order correction in a perturbation expansion. an expansion in rising powers of the coupling constant (contained in the potential). i.28) this becomes K0(x. the second order two factors of V and so on.51)) is fairly self-evident. (21. 21. Replacing 9(t) by its integral representation (21.2 Contours of integration. 21.

. } e °° f l f •/ oo /"oo F ( a .. (21.t/.(xfc .t)] n+l .32) Since — we recall this for convenience G(xf.i.ti)= n+l ri_> f V{x(t)}eiSo „ iSo f ' dt[-iV(x.i._i By regrouping factors this becomes Gl n+l lim ^ e n—>oo V{xhle) dxn / i -c-i) n+l dx z+i / * * / d / _ i .U)..xi.^.21.^ J_00 V(xk.tk) J_( x exp fc=l = ie(—2(xk-xk- 1>{x(t)}exp iSo-i dtV(x.5) a n d (21.t) JSo dtV(x.ti. Eqs. ^ = k ) = lim -(S^ A H*-\ n-KX) *—J \2irieJ r "+1 />oo X / dsi / dx2.+i 6XP L — {xk -Xk-iY {-iV(xhti)} 1/2 X Em fc=l — 0 (xk-Xk-i) W i t h Eq.t) the first order correction is (G\ ~ G — Go) Gi(xf. .tf. \2meJ n+l J.Xi. .. (21.20)) and with elS = exp i S i o / hi dtV(x. dxi ( m0 V V27rie/ m0 \^He \ exp fe=.t)\.xfc_ -OO J— OO J—OO L J. .21) this can b e written as Coo oo /•oo />oo / -oo dt / J —oo ^Go(cc/.i V e / D { a . x (n+l)/2 \ lim . (21.)} (21.tf.Xi.^){-iV(a.33) xG0(xi. l-i f f 515 order (cf.U) = — lim fv{x(t)}el —— js (n+l)/2 I dxi dx2. dxr. dxn exp i ^ —..4 Including V to First Order: Perturbation Expansion h=l.

t.tf.t)K0(x.xi. t) Ju Thus the term containing n times V contains a factor 1/n!.tf.37) Jti The last two contributions do not describe the time evolution from ti to tf.e. OO /"OO / -oo dt / J—oo dxKo(xf.t2)V(x2.t)V(x. The first two terms lead to identical contributions and therefore cancel the factor 1/2! in the expansion.t2.34) We observe that we can extend the ^-integration to — oo since KQ contains the step function 9{t).e.xi.ti). i.I dtV(x. (21. = -i dt2 / dx2Ki(xf.35) We also observe here that the problem of time-ordering arises only in perturbation theory. This is cancelled by n! different time orderings.ti).i / dtV(x. i. The factors of "V" originate from the series expansion of the exponential exp ftf .x2. Xi.516 CHAPTER 21.t) =l-i dtV(x.x2.xi.t2) xKo(x2.ti) t2)K0(x2.36) {-if •j. Jti Consider the term of second order. (21. . It can now be surmized that the next order contribution to KQ + K\ is K2 = (~i)2 / dti / dt2 I dx\ I ti.t2)V(x2. They must therefore be deleted. The Feynman Path Integral Formalism and hence correspondingly for the first order contribution Ky.ti)K0(x. / Vdt+ JIfVdt)( fti = Jti Jti ftf ) \Jti pti Jti I' Vdt' + f f Vdt' Jti rtf Vdt' J t\ j Hi Vdt rt\ Vdt' Jti Vdt Jt\ Vdt'+ Vdt+ Jti + \ S Vdt I Jti f Vdt'. dx2Ko(xf. t') + • • • .t) ! Jti r*f dt'V(x. in writing down the expansion exp i dtV(x. (21.t) (21.U) xV(xi.tf. t2.x.

(21. E) which is given by (in one-time plus one-space dimensions) V(x. and hence the diagrams representing perturbation terms here are Feynman diagrams corresponding to those in field theory.3 Feynman rules and representation of the Green's function.ti).ti) -i dt = K0(xf.t.t)V(x.tf. 21. Such diagrams in the context of field theory are called Feynman diagrams.tf. The Fourier transform of V(x.ti) = K0(xf. tf.38) . x r l i -'V(x.tf.i ] P I dt J dxKn(xf.t) is V(p.E). (21.x.xi.ti) (21.t) ) K K K0 -'V X K o Fig. This can also be written in the form of an integral equation which when iterated yields this expansion: K(xj.tf. U) (21. These may be formulated in configuration space as below.ti).t)= f dpdEeipx-iEtV(p. The diagrams represent mathematical quantities and hence are designed on the basis of rules.Xi.21.3 along with the diagramatic representation of Eq.39). 21. called Feynman rules.t)K0(x.tf.4 Including V to First Order: Perturbation Expansion 517 The full perturbation expansion of the Green's function K is now seen to be given by K(xf.Xi. transparency or brevity — it is useful to introduce a diagramatic representation of individual perturbation terms.x.t.Xi.t)Ko(x. .Xi. we are concerned with quantum mechanics.t2 K o (x 2'l2 .t)V(x. For various reasons — such as illustration. or in momentum space as mostly in field theory.39) dxK(xf.40) The rules for the present case are given in Fig. Here. of course. x"^ X x"2.Xi.

There the wave functions ipi.tf. . * k 1 • .41) We have to pass over to three space dimensions.= l. with p = Kk. The plane wave function normalized to one over a box of volume V = L3 is. (3) The transition probability per second is = \A\2 . i.42) VV dn dp Jv We are interested in the total cross section defined by transition probability per second incident flux / Here (1) dn/dp = density of (plane wave) states in the box (of volume V — L 3 ) per unit three-momentum interval** = V/(2irh)3. (21.Xi.ti)il)i(xi. ^(x.518 CHAPTER 21. here with E — k 2 /2mo.ipf have to be properly normalized.tj)K{xf.5 Rederivation of the Rutherford Formula As an application of the path integral method we now consider scattering of a particle off a Coulomb potential. 2 The expression |A| 2 /T can be related to first-order time-dependent perturbation theory in quantum mechanics. The Feynman Path Integral Formalism 21.t) = . i. and dn = dnxdnydnz. T = duration of time for which potential is switched on. The transition amplitude A describing this process is defined by the Green's function sandwiched between the inand out-state wave functions.ti). and this means the transition of a nonrelativistic particle from an initial state 'i' to a final state ' / ' with wave functions ipi (or ipin) and ipf (or if>out).e. (21. We recall for convenience from **Note that from the wave function we obtain. mo V since ip is normalized to one particle in volume V. dn = (L/27r) 3 dk. to one particle in all of space.e. in one-space plus one-time dimensions by A= dxf dxiil)*f{xf.k = 2wn/L.7 = e i k ' x _ i : l i with f i/}*i/jdx. (2) The incident flux (number of particles passing through unit area in unit time) is equal to the incident velocity times the density of incident particles and this is = n—-7 particles per cm second. for the allowed values of k: kx = 2imx/L.

i.— . (21.44) and f_oo can be replaced by fQ.k.117) and Example 10. (10.T)\2 f • (2L46) We take the following expression for the time-regularized Coulomb potential. Eq.44) = u(Ek. Then H'ki can be taken out of the integrand in Eq. H = H0 + \H'.4). Hence (h = 1) atot = f J j2^~k dp V Vm0\A(p. in which T is a large but finite time.-.. V(x.= t7Ei4 1} wi 2 k It is frequently assumed that the only time dependence of H'(t) is that it is switsched on at t = 0 and switched off at time t > 0. u = ^-\H'kfp(k). (21. The transition probability per unit time is . «= — .21. 4-7T 1 3 7 (21. Proceeding in this manner one obtains Fermi's "golden rule".5 Rederivation of the Rutherford Formula 519 Chapter 10 the Schrodinger equation with the subdivision of its Hamiltonian into an unperturbed part and a perturbation part. P(*) = j r (21-45) (cf. and with these the following perturbation ansatz: ih^* with an(t) = HV. Then for stationary states M^t) and itm^ = f HUt'V^t'dt'.e. # = ^an(i)VnM) n = a^(t) + \a^(t) + .t) = -e~^lT\ r where r = Ixl.47) .r)e-iE^\ H'ki(t) = J dv u*k(r)H' Ui(r) Thus the amplitude ak is effectively the spacetime Fourier transform of the interaction or potential XH' contained in the Hamiltonian.

we have to replace the one-dimensional quantities dxf etc. x.yLi. Ai = dxf / dx.52) . is now in three space dimensions A = Ai= / dxf / d^ty*f{'x. (21.30a) K0(xf.49) i.tf.t) = ^ J*ie*-<*'-*>-<<*'-*>.tf.* / .39) OO /"00 / dt / -OO J —OO dxK0(xf. we obtain A1 = clS(ti -tf) / dxf(-i)V(xf. (21.ti)'ipi(xi.tf)ipi(xf. (21. ti) = co5(t — U)5(x — Xj) etc.44) by contracting the propagators to instantaneous point interactions.tf)Ki(x. (21.>/>. also called Born approximation. The Feynman Path Integral Formalism In calculating the Rutherford formula with the help of our previous formulas.520 CHAPTER 21.t.49) together with the following wave functions (of asymptotically free particles) 1>i(*i.i x (-i)V(x. by threedimensional dxf and so on.e..t)V(x. (21.^ / . The lowest order approximation of A.Xi. £. (21.U) = ~ e ^ l ^ \ ^(*/>*/) = _ L e * P .50) Here x — xj — Xi and t = tf — ti. dt dxip*f(xf.51) Inserting this into Eq. Xj.t) (21. T a large but finite time.t)K0(x. (21.tf)K0(xf. This now has the form of the amplitude (21.tf.ti).tf)ip*(xf. t. (x*.f.).tf). i. Thus with the ansatz Ko(x.tf-x.xuti) = ^ J°° d p e i p x _ i ^ * .f.48) where from Eq. In our previous one-dimensional considerations we had with Eq. t.ti).x. The three-dimensional generalization is (taking tf » T and ti <C —T. We can relate this amplitude to the amplitude ark of Eq..tf-. t)K0(x.x. (21. so that 0(t) can be dropped) K0(xf.44) (here in the scattering problem with initial and final energies equal).

2 „ x -v~ m o (21.p ) .k.57) we have A(p. (21.54) Now inserting the expression for the potential V(x.r) = = -y . (21.56) (21.).~ .iaT2/8: L With 0 0 • .55) We evaluate this integral with the help of the following integral in which we complete the square in the argument of the exponential and set r = t .58) In doing the integration over x we introduce a temporary cutoff r = 1/M by inserting the factor e~Mr in the integrand. (21. Then integrating over q and q' we obtain . Then we require the following integral. At2 dteiat~^ a2T2 f°° =e " J dre-^lT2 p2-k2 2mo = (~)l'2e-a2T'' / 1 6 .2: piq-x / Y iukawa •" dx- e~Mr 47T q + M2' 2 (21. £).T) = -^JdXJdt%-*t2/T2exp i ( k .21.T) = x exp L z/ q/2 k2 521 f dx.5 Rederivation of the Rutherford Formula we have (for ingoing momentum k and outgoing momentum p A(p.i ( k 2 . this becomes A(p.59) .k. k2 -ip-x + i-—t + ik-x — i 1 2mo 2mo (21.f f dxi f dt f dx f dq / d q ' p V 2 (2TT)6 2 +iq' • (x — Xj) — i- 2mo (t — U) + ik • x 2mo . P2 .k.53) The integrations with respect to Xf and Xj (including in each case a factor (27r)3) yield delta functions 5(q — p) and <5(k — q') respectively. which is evaluated in Example 21. .t)exp A(p.fdx-e^-rt* dx-e< p) x fdte1 ' (-4-) 2m0 T2 e "^^J2" 16 .k.p 2.T) = JdtJdx(-^\V(x.

63) we have: Probability per unit time = 7-7777. e (21. integrating over the square of the ^-dependent factor in V we have /"°° dt(e-4*/"1*}2 = (^p) ' 2 instead of T.64) Inserting the result now into our expression for the total cross section.a ( — ) ^ . Using the result (21. <rtot.3." + M ] p) ' "•"• ^2 -.59). (21. 2 with 2mo J 2ir a2 Ct 16TT2 -LU7I F [(k . k .t o t= y dp ( 2 v r ) 3 "V 3 I W: 2mo y m0V k 32^a2S(^) y ( k y 22 [[ ( k _ p ))2 + M 2 ] 2 ' k-P 2 (21. { I i _ F T l } . T ) ~ .60) Now. ( 21 .65) But E=*-. i.59) we can re-express A as I /7rT2\1/2 e (P 2 -k 2 )T 2 f A-jr ~) p * P . The Feynman Path Integral Formalism This means: The result of Fourier transforming the Yukawa potential ~ exp(—Mr)/r is the propagator (21. This expression assumes that the integration over time t is normalized to 1.522 CHAPTER 21.k. / / P 2 _ . . we obtain . For this we require the following • representation of the delta function: —k2T2 rp —k2T2/8 S(k) = lim T .„ 2.61) We can now Hence in our case \A\2/T has to be replaced by \A\2/(nT2/8)1/2.„. k2 .< ^ £ \M VTTT2. dE = PjV = ^ E ± .T2f 8 V/ 2 .P ) 2 + M2]2 4 VvrT2. where M has the meaning of mass (in the case of the Yukawa potential the mass of the exchanged meson). Using Eq. (21. otot contains the factor \A(p. e 8{k) = lim -7=*—^ (21.e. 66) o .T)|2/T.\ 2?7lo / 1 (21. In our case this has not been done.63) We establish this result for T — 1/e in Example 21.62) We want to consider the limit T — oo. write down the probability per unit time which is ( 8 \1'2 _a2 16^ .^ . y 2 [ ( k .51 — 2 /w2 y ~ —. mo m (21 .

Example 21.5 Rederivation so t h a t of the Rutherford Formula 523 M^f) . setting M2 = 0.^ . Then (x = r) foo „2jj.67) T h e delta function here implies energy conservation.* 9 ' d r e . and inserting the expression thus obtained into the final result of Example 10.M £ M * = / m0kdn = m0^2m0E (k . r\ poo Yukawa = = ^ Jo 2TT / r e~Mr y_i -dre~Mr d(cos 9)e^r sin qr = — G / cos e = 2TT / J0 —-e~Mr iqr { eiqr .3: A representation of the delta function Determine the Fourier transformation of e~ax of the delta function <J(fe) = lim — / dxe~ax a-*o 2-K J-oo for a > 0 and hence the following representation eikx = lim — ..68) Inserting (21. i. p 2 = k 2 .j . —Mr 4w = .2: Fourier transform of the Yukawa potential Show that [ j / j eiqx dx—-e .e.21.j . (21.68) into Eq.65) with the cutoff M -> 0. so t h a t (21.4. we obtain f mlV2 dQ v / 2 m ^ 3 2 7 T 3 a 2 atot r) 3 fcV 2 4fc 4 4sin 4 (0/2) ' -JW) da _ d& = i. esfn (21.p ) 2 = 2 k 2 ( l .^ .69) This is the wellknown Rutherford formula. giving the potential a coupling constant.^ Jo 4-7T q 1 M — iq 47T i q2 + M 2 Jo G— 9 Example 21.cos 9) = 4k 2 sin 2 | .= e " f c a ^ o 2v^fa /4a = lim £^o —. This result may also be obtained from lyukawa of Eq. /Yukawa = ) Solution: We choose the 2-axis along the vector q. with k = y 2moE / we obtain the differential o?m\ 4fc sin 4 (0/2)' 4 cross section (21.70) .e.67) and (21.59) by replacing there q 2 by ( k — p ) 2 . (21.e . 2mo / dft. (21.

524 The function required is CHAPTER 21.oo J / )eikx. (21. We write the state vector of a particle of three-momentum p in the momentum space representation: |p).^0 a^C 2^/TTO. a simpler method suffices.x) (21.* . Since dxe" 1 1 1 = « / . We have |x> = I J ^ l p X p l x ) . (y|x) = 6(y . The Feynman Path Integral Formalism o° 2 / -oo dxe~ax eikx.71) with respect to k yields the same as °° 2 . The two representations are related to one another as we saw in Chapter 4 by the following expressions or Fourier integrals: |p> = | d x | x ) ( x | p ) . '<*> = . Direct integration /4a .72) -co From (21. however. a. In configuration space the state of the particle is written |x). In the present case. -co -oo dx -co (eikx)e~ax dx J = — / ikelkxe~ax 2a 7 _ 0 0 dx = ia^ Thus g(fc) satisfies the first order differential equation g'{k) + (k/2a)g(k) yields g(k) = Ce~k2/4a with the constant C = g(0). ' i a = lim e —0 p-k 2 /e2 e^TT 21.75) .6 P a t h Integrals in Dirac's Notation It is instructive to devote a little more time on the Feynman formalism by rewriting it in terms of Dirac's bra and ket notation.71) Solution: In general one uses for the evaluation of such an integral the method of contour integration.70) and (21. 7 r°° d 9 xdxe~ax elkx = -— dx — (e~ax -oo 2a J-oo dx Partial integration of the right hand side implies oo /. (21..73) 5{p) = (W / dxe"P'x' 5{x) = J^rI dpePx ''- (2L74) The normalizations (q|p) = (27r)3<5(p . Differentiation of (21. (21.71) we obtain a representation of the delta function: <5(fc) = lim — / 1 /"oo a ^ O 27T J _ 0 0 dxe-ax 2 eikx = lim —g(k) o ^ 0 2?r ^ O 2-K 1 i 1 = lim k 9 .q). We consider again nonrelativistic quantum mechanics. Va we obtain g(k) = J-e~k V a = 0.

t\ = -iH{x. We consider first an infinitesimal transition.t) = e* H t |x).We define |x.0) = e""|x). i. 159 .t)} constitute a "moving reference frame" in the sense that ip{x. i. so thattt d — |x. (21. (21.p). i. Thus (q|P|p) = p(q|p) = p(27r)3<5(q . The equation 1 = J ^|p)(p|.i) = K(x'. x' — x infinitesimal.^ l x ) . See also L.82) (21.e..77) (21. 4) is to satisfy the Schrodinger equation. (p|x) = e~ipx. Ryder [241].t).t).We now introduce the Dirac bra and ket formalism.t'|x. .e. (with ft = 1) d/dt\ip) = —iH\tp).160. Then the states {|x. The time development is given by the Hamilton operator H. H.i'|x.82): The general Schrodinger equation has the state vector to the right.6 Path Integrals in Dirac's Notation therefore imply 525 (x|p) = e ipoc . (21..78) P|p) = p|p) is to be interpreted to say: The quantity p is the eigenvalue of operator P with eigenvector |p).80) (21. ) H = (x|</>o)s. t\ipo)s.x. Then ( X | ^ .The time development in the Schrodinger picture is given by \tpt)s = e~lHt\4>o)s. -M^ip(x. t' — t.76) These relations imply the completeness relations 1 = J dx|x><x|. Hence for the infinitesimal transition (x'.£) = ( x V ^ ' . (21.79) Feynman's principle is expressed in terms of the propagator or transition function (x'.t).t) = +iH\x.t> =iH\x.t\.e.t).t'.83) (21. we must have d/dt{x. |x. The relation between Heisenberg picture states and Schrodinger picture states is \ipt)s = e~lHt\ip)H. pp. (21.81) Comments on signs in Eq.21. d/dt\x. Similarly we have a position operator X with X|x) = x|x).t) = —iHip(x.i) = e iH4 |x. which describes the propagation of the particle from its initial position x. t) = (x.e. so that \if>t=o)s = H>)H.e. i.If '/'(x. as had to be shown. at initial time ti to its final position xy at time tf. i.

526 CHAPTER 21.e.85) The momentum operator P satisfies the relation P = /(2^3P|P)(P|' (2L86) so that it projects out the momentum q of a momentum state |q).x).89) Using this and previous relations we obtain for the Hamiltonian (21.x = V(p . P|q) = J 7^3P|p)(p|q) = J dpp|p>*(p .y<&(p'ix')(x'ivix)<X|p) = f dxe.i p '.88) Thus P has the operator representation P= /dx|x)-V(x|. " - » We suppose that for a single particle of mass mo moving in a potential V(x) the Hamiltonian is (21. (21. (21.V 2 < 5 ( x .x') + V{x)5(x' .* .91) .90) (P'IVIP) = y<&.. The Feynman Path Integral Formalism We can rewrite this relation as <X t M ' ' = /(^/(l]3 < X ' I P ' > < P ' | e ""'"'' ) | P ) < P | X > e.x y(x)e i p .q) = q|q>We also have by mapping onto configuration space P|p) = = P /*dx|x)(x|p) = P /"dx|x)e i p x = p /"dx|x)e i p x f dx\x)—eipx= /"dx|x)-V(x|p). 2mo Since (21. i.P V<P |e l ) | P > e P X <2184 = /(w/(^ ' ' *" '"'' *=£Uv«.p').85) the amplitude or expectation value or position space representation (x'|#|x) = . (21-87) (21.

tj).t'f / w? eip''x'^(p ~p/) = / l r ip''x' / "x"e~JP'x"v{x")e" = = Hence + y(x') 2771Q d /dx"<5(x'-x")F(x"KP'x' y(x')e i p ' x '.92). Thus with •"•/ — ^ n > *•/ — ^ni ^ 0 — Xj.i'|x. t).p') • • • j W < 5 ( p ' .f|x. But e'ipx + 0[{t . (21.j. (21. 527 (21. (x'.p) + i{t .84).p') + V(p .82)).95) when applied to the bra vector (x. tf subdivided into infinitesimal transitions (xj+i. EQ — Hi . ti to x j . for the amplitude of an infinitesimal transition. We now consider the transition of the particle from Xj. We have <x'.p').93) + -ipx P r ip-(x'-x) -iH(t'-t) (2TT) 3 (21.e.t') \^-(27rf5(p 2mo +V(p-p' where we used (21. i|.6 Path Integrals in Dirac's Notation we have in momentum space the representation (p'|ff |p> = ^-(27r) 3 <5(p . the signs are reversed when these operators are applied to the ket vector \x.92) We now return to the expression (21.tj+i\x.21.t> d f dp' P' r_dp f dV rivf-*!ini\rmt-f) J (27T)3y (27T p e |p) e -ipx +i(t-t'){p'\H\p) + ---}e-ip-x .94) In the above we have chosen the signs such that p = —iV and H = i— ot (21. i.t) (cf.

x i .ti. then corresponds to the sum over all paths. x f c ) = ^ .. t n | x n _ i . We now insert for each of the infinitesimal intermediate transitions the amplitude (21. i.a — —e/2mo and divide b o t h > sides by 2TT.. .. . .X n _i)] h) (21.27) in which we make the replacements x —> eifc..x 0 ) + p 2 • (x 2 .ti) rx/=x(i/) d x i dx2 .x2)(t2 We can rearrange the factors here in the following form c„=x/ n—1 (Xf.t 0 ) + H(p2. (21.528 CHAPTER 21. .xn)(tn -in_i)]. d x i .dpn-l dpn (2TT) 3 (2TT) 3 exp [i{pi • (xi .i/|xj. .xk (21.97) H hH(pn.e.99) .98) tk — *fc-l # ( p f c . zmo T h e n t h e integration over all p ^ can be performed by using Eq. x i ) ( t i . The resulting relation is m0 2irieJ 1/2 m0x| exp ze ) " / 2TT exp Pk 2 mo 1 (21.tj) = / ••• / d x „ _ i d x n _ 2 . x n which the particle passes at times tQ.x i ) H h pn • ( x n .. x exp [ . dx.tf\Xi.ti|xo.tn respectively.i /Xj=x(*i) f J [ ^ 1 dp2 3 3 J (2TT)3 (2TT) .tfe-i) fe=i .ti) = x 0=Xi n^n fc=1 ? <^Pi (2TT)3_ exp / ^fa .+ V(x f c ).. (Xf.i { f l " ( p i ..xic) by fc — Xfe-j -H(pk. .94) and thus obtain a phase space expression.2. T h e integration over the n—1 intermediate positions. . = 1 X X<jPfc We now replace H(pfc. t n _ i ) t„-2>---<xi. d x n . d x i ( x n . i. .tf\Xi.t0>(21-96) We define a p a t h in configuration space by a succession of n + 1 points x o .. The Feynman Path Integral Formalism we obtain (it will be seen below why we do not introduce normalization factors here) (x/. d x „ _ i .e.

. A. i. (21. Smolyanov.8) as N(e) so t h a t the integral does not vanish for e — 0.] ex H ^I (.ti) = J D{x(t)}D{p(t)}exp|i [' dt\p-i.tfc-i) fe=i £(**-'*-*){ p*-**-^} —tk-i m0±2k (21. Truman [254]. i.21.98).98) can be rewritten as 3n/2 2^") x / n dxfe exp * ^o** ~tfcV rn-l <i 2 m ° x fc ~ ^ (21. (21.fc=i 3n/2 r n m0 exp 2_^i{tk 2m(tk .6 Path Integrals in Dirac's Notation 529 Forming products of expressions of this type we see t h a t this relation can be generalized to the three-dimensional case. / {xf.100) Hence with all tk — ifc-i = e we obtain /n dpi i _(2vr)3 exp •.102) We see t h a t the factor (with h = 1) m0 2m(tk 3/2 3/2 [N(e)}-< = tk-i) \2irie) is precisely the normalization factor inserted earlier for the one-dimensional case in Eq.-H(x.e. to / m0 \ 3 / 2 las.p)]\.101) Then Eq.tf\xi. m& ze ) J (2vr)3 exp it p fc • xfe IP* 2 mo (21. Tokarev and A. (21.103) is another form of the path-integral for which the integration with the help of Eq.100) over V{p}= L J ^ rwooll V (2-7T)3 1=1 ' lim T T T ^ *The reader interested in a rigorous treatment of representations of solutions of Schrodinger equations in terms of Hamiltonian Feynman path integrals may like to consult O. > Thus the phase space representation of the path-integral* (21. (21.e.. G. G.

V(xk) = m0±l .e.106) In order to be able to deal with this expression we first require the momentum operator representation of the operator x(t). i. Thus finally we have Feynman's principle: (Xf.ti) = ^lim^ N(e)3n / * JJcbc fc exp i / fc=i * dtL(x. . pfc) = Pfc • xfc . t. pk) = L(xk.x) .105) D{x} n ^ o o [7V(e)]3n Udx kk=\ In this notation the measure factor is contained in ©{x}.tf\xi. xfc).104) where for the particularly simple Lagrangian L under consideration here -m0±l . (21. t to x. We check below that this is given by x = / ( ^ | p > i | ( p | - <2L107) See also C.ti) where n-l D{x(£)}exp '. this agrees with the corresponding discrepancy in the one-dimensional case of Eq. (21. I hi dtL(x.iJ(x fc . Garrod [106]. p . Note that we have n factors [iV(e)]3 but only n — 1 integrations dxk.x) (21.8). n-l (xf.8).530 CHAPTER 21. We have now obtained the path integral representation of the matrix element ( X / . We know from classical mechanics that this relation is a Legendre transform which transforms from variables x. £ J ) with no operator in between. £ / | X J . The Feynman Path Integral Formalism yields automatically the correct normalization factor or metric in the configuration space path integral^ in agreement with Eq.H(xfe. (21. x.tf\xi. operator (21. Clearly for a better understanding one also wants to explore the case of sandwiched operators in the path integral representation.t'}. Consider the following expectation value with primed and doubled-primed states denoting some intermediate states between initial and final states denoted by indices % and / : (xV'l x(<) \x'.

With the wave functions (21. Thus <xV'|x|x'. ••• y (2^ x= f dp |p) ^(p|- d We now consider an expectation value in which we replace the operator x (which is sandwiched in between exponentials containing Hamilton operators) by the expression (21.t'}. (p|x).77) and thus have 531 *!*') = *M = * 7 ^ I P > « .21.107).6 Path Integrals in Dirac's Notation For the verification we use Eq./ ^ I < « .t"\x\x'.* * . x fdxG | ^ P <p"|x3)<x3|e-^V) x (21.i p '• x . With contractions and integrations over delta functions the expression for the matrix element then becomes <xV|x|x'.* * f dp = j (2^ |p) ^ d .v ' x ' and thus {x". . (21. .5 l^ t 'lp / > e .109) .108) (x 4 |p)^^-(p|x 5 )(x 5 |e^ t '|x 6 )(x 6 |p / )e. (21.t'} = = fdx5x5(x"\e-im"\x5)(x5\eim'\x'} f dx5x5{x".t"\x5){x5\x'.0 = J'-^ j'^e^''(p"\e-^''xe^'\p')e-^'. so that we obtain a c-number position coordinate which we can shifted across other c-numbers.*') = / I F / (2?FeiP"'x" / ^ 5x5 (p // K^> 5 )(.76) we can rewrite the factor (x4|p)^(p|x5) as (x 4 |p)x 5 (p|x 5 ). .

110) Recalling Eq.111) 1 .113) Inserting for each of the infinitesimal intermediate transitions the amplitude . ..£'> = x"[«5(x" . (21.£j to Xf. we obtain (here and in the following the limit n —> oo at the end being understood) (x/.74) of the delta function.532 CHAPTER 21.£j) = / ••• / dx n _idx n _2 . (21. We now consider the transition of the expectation value of operator x from Xj.£ n |x|x n _i. ti|x|x 0 .112) where x" is a c-number.85) (xV|x|x'.it / / x / (x"|ff|x / ) + it'x"{x"\H\x>) + • • • .90) we can rewrite this expression as (x".x') .i{t" .x ' ) (2^ i^+vM + D «p-(x"-x') (21.t n _i) x ( x n _ i .t"\x\x'.i ( t " . This is the expression corresponding to that of Eq.*/<x"|x5)(x5|tf|x'> + .0 = and hence /dx 5 x 5 [(x"|x 5 )(x 5 |x') .i(t" .f ) i f e i p . Thus with x^ = xn. x / / e .£/|x|xj. . £ n _i|x|x n _ 2 .0 dp x„ / (27T): 1 . (21.t') (xV'|x|x'.t'){x"\H\x') = X + •••} (21. we obtain with (21.• dx1 (x n .x') .ti = to as before.tj+i\x\xj. (21.tf subdivided into n transitions (xj+i.t') dp . t0). Inserting here the integral representation (21.tj) at equal time intervals e. The Feynman Path Integral Formalism In the second last expression here we expand the exponentials and obtain (xV'|xK. ] . tn-2) • • • (xi. = x"6{x" .iit!' -1') 2mo + vtf) + <5(x"-x').i t " ( x " | # | x 5 ) ( x V ) +. We now proceed from there along parallel lines.94) for the case with no operator in between.tf — tn and x$ = XQ. ( x " .

7 Canonical Quantization from Path Integrals (21.t') = and con- 5x"Vx„{x".ti) 533 rxf=x(tf) = / • • • / dXidx.{x". .3 " n d x f c .t') (21.« • > We reconsider therefore the transition amplitude (x"..\Xi.21.. .105).tf\x.t') .. the string of factors xi X2 .t"\x'. tj | xj1 x».. tj \ xt..t"\x'.x2)(t2 ~ h) + • • • + H(p ••• + p „ . x (21. (21.and hence may be put in front of the integrals to yield (xf. .t"\x'.t"\x'. x n _ i x n reduces to the single factor x^.x n _ i ) ] .2 .x 1 )(t 1 -Z & ) +H(p2.115) where (there is no integration over x n ) n-l 0){x(t)}= l i m [ i V ( e ) ] .x 0 ) + p 2 • (x 2 . (21. x n _ i x n i JXi=x(ti) /Xj=x(tj) 7 . dxnn _i Xi X2 ..114). For simplicity we consider the case of one spatial dimension. (21.117) "•"One may observe here that if x = x^ = x„ in the integrand of Eq.y (27F (27F •" (2^(2^)3 exp[-.89) is consistent with the conjugate expression dL (2L116 * ..10) or (21.tj) = / JXi 2){x(i)}x(i) exp i I I Jti dtL{.t"\x'.( x „ . Xn _i X„ xi dx.t') = (x" + 5x".xi) + f f dpi dp2 dp n _i dp n The momentum integrations can be carried out as before and we obtain finally (x/.2 . dyi -l xi x 2 . n—>oo -*•-»• 21. We demonstrate first that the operator representation of P given by Eq.iy|x|xj.114) x exp [i{pi • (xi . we obtain* (xf.{^( P i. Before we can consider canonical quantization in the context of path integrals we have to investigate in more detail the role played by momenta.t') sider the variation S(x". U).7 Canonical Quantization from P a t h Integrals We saw above that in the path integral method the evolution of a system is expressed by a basic functional integral like (21.112).x .. tj) = xf (x/.

dx dt \ dx _ (21. V°{x}[i6I{x)/h]e* Jx' The following steps are familiar from classical mechanics: yV 51{x) S /1 dtL(x. jt/ 37 ( -£T. " M{x)/h &(t ) = fa (L2) 2 11 and — using Eq.t') = - 6— / 1 V°{x}t .10) and set D{x} = D°{x}/JV(i/ . For the purpose of enabling some formulations below.t"\x'.534 CHAPTER 21. . <9L' dt —dx + — 5 x ox ox f . (21.118) JI(x)/h . The Feynman Path Integral Formalism with 8x" = 5x(t") ^ 0 and 5x' = 8x(t') = 0. dL d5x / oft—5x + / dt dx dt Jt' ox Jt t' and hence <9L —-oxdt + ox ox nt t.t"\x'.120) However: In our case here 8x ^ 0 for t — t" (although 5x — 0 at t = t').(x".tt).x). dL r /•*" . Hence w « = (t). Thus in this case of classical mechanics dL_ d fdV. and we demand the validity of the equation of motion. with N = N(t" .t i_(dL_ x't' h\dx J t„ (21. we separate the metric factors from T){x} in Eq.119) The classical equation of motion follows from Hamilton's principle for which 5x = 0 at t — t'. (21. t". x) Jt Jt dL. " (t).l&cdi.t'): 1 fx" 6(x".i/(x)/fi ) j ^ ) dtL(x.t'). (21. Then.122a) = 17) 5x"Vx/. dt\Ox w(x) = r dt d^_dL(dL dx dt \ dx °L 8x + ^ T!5 X 1 ox (21.118) — = (21 5x"(x".

Wightman [264].115) in three space dimensions.125c) Corresponding to our relation (21. The following properties are assumed to hold: (1) / Jti V°{x} = ^ x.U) = T777TT / &{x}eaW\ IXi=x(ti) ) iV(A) JXi=x(U (21.1 (A / ).1>) = ^{x".t'\ = l. (21.t"\p(t")\x'.7 Canonical Quantization from Path Integrals or -JL(x»y\x.126) R.124) where with A = tf — ti.1 (A)iV.. . 535 (21.tf\xi. ^2\x'. / Jxi V°{x} / Jx' V°{x}.122b) By comparison with Eq. x' (21.125b) and the measure property (3) N~\A + A') = A^. (21. I(x) = / JA dtL(x. § The evolution of the system is expressed by the Feynman functional integral (xf.89) we see that Having explored the appearance of canonical momentum in path integrals we can proceed to extract the canonical quantization. Streater and A.125a) (2) the completeness relation holds.t').Xf = x(tf). S. F.t')(x'. we now have in one spatial dimension {x^tflxlxuU) = J^ff'DQ{x}x{t)eiIWh. 6 (21.21.x). We consider this here in quantum mechanics in one spatial dimension but parallel to field theory. (21. Here f*f D°{x} indicates that the integral is to be taken over all x with boundary conditions Xi = x(ti).

127) We can now write down an expression for a time-ordered product of operators.128) where tf is later than ti and t\. (21.ti) = Xi(xf.t"\x'. Thus if T denotes such ordering.t"\X'.114) (xf.t') = -ih(x.133) = -ih{x".tf\T(Xl • • • xn)\xi.. tn lie correspondingly in consecutive order between U and tf. (21.t').131) = -ih(x".t\x'.ti) = —!— p V0{x}xx • • • xneu^h. we have the relation (xf.t')=x"(x".t"\x'. Thus (xf.536 CHAPTER 21..t'). .tf\xi.tf\xi\x'. (21.t"\x"\x'. We have (cf.t') + x"^J^{x"..t'){x\t'\x2\xi. But for t = ti we have (and equivalently for t = tf) as we can see from Eq.ti) = x' 'Y^{xf.t"\x'.127)) (x". (21.t') \ i ox" i ox"J or in commutator form [P. Then the relation follows with the help of the properties (1).tf\x(ti)\xi.t').t"\x'.tf\T(xix2)\xi.x](x.122b) we can deduce the nontrivial canonical commutation relation arising here.ti). (21. The Feynman Path Integral Formalism The time t is in general a time between ti and tf. (21.t"\x'.t\x'.t>). (2) and (3) above. (21.ti) f ' V0{x}xlX2eu^lh.t') (21. Taking the functional derivative 5/iSx" of this equation we obtain 'ilx7'^' '^"^x"\x ''*') = (21.132) The generalization to higher spatial dimensions proceeds along parallel lines.130) ~i5x7jX"{x". Eq.129) = ^ y With Eq. (21. We consider the case n = 2. We can rewrite this expression as the commutator relation (-ITU*" -x"-^-](x"..

T. but asymptotic.e. in the context of quantum mechanics are not convergent. i. in the sense of rigorous convergence tests. i. divergent.e. it was known from quantum mechanics that Rayleigh-Schrodinger perturbation theory by itself does not yield e. such as the fine structure constant of quantum electrodynamics. the modulus of the ratio of the (r + l)-th term to the r-th term is larger than one. as we have seen in Chapter 8. Expansions of this type arise. p. Whittaker and G.1 Introductory Remarks In field theory a perturbation expansion is generally understood to be an expansion in ascending powers of a coupling constant. The vast majority of perturbation expansions discussed e.g. it has some finite. for sufficiently large r.e. An essential singularity is really an ambiguity rather than an infinity. so that successive contributions to the first approximation do not invalidate this approximation. If the expansion is mathematically well defined.g. nonzero radius of convergence in the domain of the coupling parameter. W = e x p ( l / z ) . In physical applications such cases are rare.g. if a function is expanded in the neighbourhood of an essential singularity* or if an expansion of the integrand of an integral representation is used (i. although the first few terms indicate a convergent behaviour. the exponentially small level splitting which occurs in "The expansion involves both positive and negative powers of the deviation. Such an expansion parameter is usually known to be or assumed to be small in some sense.e.g. integrated over) beyond its radius of convergence.Chapter 22 Classical Field Configurations 22. E. 102. z = a + i/3 with a — oo or f3 —> oo or both. the series converges. Such expansions are strictly speaking. It was therefore natural to search for alternative methods of expansion. Watson [283]. N. see e. i. Consider e. In field theory it has been known for a long time that expansions in ascending powers of a large coupling constant are fairly meaningless. > 537 . Besides.

it is an expansion in rising powers of a semiclassical expansion parameter which plays the role of Planck's constant h in the quantum mechanical WKB approximation. specific boundary conditions have to be implemented in order to yield these effects which are therefore frequently termed "nonperturbative".. There. The classical. and has led to insights which previously seemed unimaginable. However. such > a series begins with a contribution proportional to (e..538 CHAPTER 22.h. the dominant contribution is singular (has an essential singularity) for vanishing semiclassical expansion parameter (h — 0). A method which achieves this is in particular Feynman's path integral procedure.h°. One therefore faces the problem of quantizing a system which is subject to constraints.g. The procedure requires a change of variables from the original ones to collective and fluctuation variables (in analogy to centre of mass and relative coordinates).. A further challenging task was the development of methods of quantization of theories which incorporate classical. i.h3. On the contrary. nature of the dominant approximation does not imply that this describes classical motion. and the corresponding expansion is called the "loop expansion". before we reach the stage at which quantization can be considered we have to deal with numerous other aspects such as the stability of the classical approximation. This type of expansion is decsribed as "semiclassicar. The study of expansions of this type has turned out to be extremely fruitful. such as soliton theory. Many of these aspects are interesting by themselves . higher order corrections are of orders ±. c-number first approximations. and in general this change is accompanied by certain constraints. Classical Field Configurations the case of the symmetric double well potential or in the case of a periodic potential. the consideration of conditions which insure the existence of Green's functions of this new type of expansion procedure (which again leads to asymptotic expansions) and so on. one considered in particular an expansion which is such that the first approximation is purely classical in a certain sense and such that this ignores quantum effects. c-number. the procedure discussed thus far) to systems with constraints was developed by Dirac [76] and is introduced in Chapter 27.) l/h2. i..e. In the following we consider various typical examples. In particular it enabled nonlinear problems to be studied and led to a consideration of topological properties. although this terminology is not precise.e. the latter's topological properties if any.h2.e. In searching for other means of expansion. The fundamental extension of the method of canonical quantization (i. These methods are often described as methods of collective coordinates.

modified by going to imaginary time). A main aim of this chapter is to generate some appreciation of the distinction between so-called topological and nontopological configurations (later referred to as instantons and periodic instantons and bounces respectively). In the following we trespass somewhat and only at very few points the sharp dividing line between quantum mechanics (which is effectively a onedimensional field theory) and simple scalar field theories. This means theories with field densities which are therefore infinite-dimensional. a static (time independent but space-dependent) solution of the classical equations of motion. Thus references to field theory will be exceptional and hopefully do not irritate the reader. 22. . (22. or even a solution to a modified field equation (e. We begin therefore with a brief recapitulation of the simple Higgs model which exemplifies this case and exhibits the phenomenon known as "spontaneous symmetry violation" or the Goldstone phenomenon. monopoles. We write the complex scalar field <f)(x) in four spacetime dimensions The spacetime Lagrangian density of the specific theory we consider here is given by C[4>. to keep this case in mind. d^] = d^d^ . and also to see these in a somewhat broader context (by comparison with higher dimensional cases). vortices and kinks. Tong [272].V(4>).1) ' T h e reader who wants a highly advanced overview of instantons. may like to consult the article of D. We shall not be concerned so much with the case of a constant first approximation. t The classical first approximation in the procedure outlined above may be simply a constant (time and space independent) quantity.2 The Constant Classical Field We consider first the case of a constant classical field in a scalar field model called the complex Higgs model or Goldstone theory.* assuming that this is acceptable to a reader with some familiarity of the basics of the more complicated field theory of electrodynamics. it is important for a better understanding of the considerations which follow.g.2 The Constant Classical Field 539 and in any case deserve detailed study. The important aspect we want to draw attention to here is that of "spontaneous symmetry breaking".22. V{</>) = m§0V + |A0(<^)2. However. It is evident that symmetries and their violation by the classical approximation play a significant role in the entire consideration.

for m§ < 0 the potential is a double well potential with two minima at \<f)\ ^ 0.1. as illustrated in Fig. p.e.£).g. 22.1 Different potentials for different signs of m§. of the equation of motion? For these we must have all derivatives of <j) zero. . 22. m l + -\04>*4> )$ = <).2) We ask: Are there classical (i. and hence here [d^ + m20}(l) = --Xo(f (22. To insure that the Hamiltonian H = f dxH with Hamiltonian density 7Y(0(x.e. 433. For UIQ > 0 the potential V((f>) has a single well with minimum at |</>| = 0. Felsager [91]. (In models of the early universe one often considers V(|0|) with m\ > 0 at the early stage. then after cooling with a phase transition one considers expectation values |0| 7^ 0 corresponding to minima at \<$>\ ^ 0. An even more familiar example is the Ginzburg-Landau theory [111] of superconductivity § in which the phase transition to the superconducting state implies the transition to the double well potential shape). c-number) solutions <j)(x) = 4>c = const. V[|<t>|] m 2>o o Fig. £)) is bounded from below we must have Ao > 0. V ) .3) See e. The Euler-Lagrange equation is d„ dC d(d. i.540 CHAPTER 22. § (22. Classical Field Configurations where d^ — (—d/d(ct). B.S£/<90(x.

Thus the classical solution 4>c violates the U{\) symmetry of C and of the equation of motion. TT = —J. like the solution x(t) of the simple Newton equation mx(i) — —V'(x) violates the invariance of this equation under time translations t —> t + 5t (i. the only such solution is the case we wish to consider. 22. TTIQ > 0. mg < 0.2 The spontaneously chosen phase.ir]=7r<fi-C. the equation has this invariance.</>2)-plane. we have 541 0. We can convince ourselves that <fic is the field associated with a state of minimized energy. with 0 = 0.4) Here (3 is a spontaneously chosen phase like a stick held upright along H in Fig. not the solution x(t)). and so ft[<M=m6:(^* 1 + -Ao(0*0)2.5) . whereas the field (bc becomes (a) A oi(0+<x) V~2 + Every new phase defines a different solution. It is important to observe that <bc does not possess the rotational symmetry of the Lagrangian density C or of the Euler-Lagrange equation in the plane of complex fields <f>.22.2 when allowed to fall chooses an unpredictable phase parallel to a radius in the (0>i. aq> For (b = const. w A iP 3ml 5* "XT" (22. (22.e.e. But for Ao > 0. 22. The U(l) phase transformation <b — exp(ia)((> leaves both £ and the Euler-Lagrange equa> tion unaffected. i. Fig. H = —C = V. The Hamiltonian density H is defined by the Legendre transform H[<f>.2 The Constant Classical Field For Ao > 0.

Then we can reach some point in the neighbourhood of 4>c{(3 = 0) by travelling from 4>c partly along the direction of minimum configurations. one obtains the equations (d^ and (d^ + ml + ^ A 0 A 2 V = 0 ( ^ 2 . i. in a transverse direction. 22. where (f>c = — T](x) = —= [V-l (x) + ilp2 (x)} • (22.g.2) and separating real and imaginary parts. This is the condition (22. (22. we set cf>(x) = <f)c + ri(x).3). i. ^ ) o + m 2 + 1A 0 A 2 ) ^1 = -A (± A0A2 + m 2 ) + 0 ( ^ 2 . along the trough of V (which we can call a longitudinal direction). and we wish to investigate the behaviour of the field cf> in its neighbourhood. i. (22. We examine this in more detail by setting <f>(x) equal to the classical c-number configuration plus a fluctuation field n(x) which is again complex like <f>(x). (22. Clearly these are the field configurations which trace out the circular bottom of the trough of the double well potential.2. Classical Field Configurations the density Ti is minimized (i. Suppose we choose one such configuration.e.e. V?) (22.Then m\ m\ = ml + -A0A2 = m2. and partly by climbing up the parabolic wall on either side. e.3) obtained above. >° for m 0 < °> .e.7b) In Eq.7b) the constant on the left and the coefficient of A on the right of Eq. (22. as indicated in Fig. .e. &H/d(fi = 0) if [m20 + ^>]</> = 0.3ml = -2ml = ml + TA 0 A 2 = 0. We identify the coefficients of the linear terms on the left hand sides with those of the masses of the fields ipi. the one for (3 = 0.tp2.7a) (22.542 CHAPTER 22.6) Inserting this into Eq.7a) vanish on account of Eq. For every value of the phase (3 we have a different constant c-number field configuration 4>c.

Thus the Green's function is similar to that in electrodynamics. (22. It is known from there that the vanishing mass of the photon together with the transversality of the electromagnetic field implies that only two of the four components of the four-vector potential A^ are independent. t') = d(r .t'). The appropriate Green's function G is the inhomogeneous solution of the the equation [8^ + m20]G(r. This wave function is in the quantum mechanics constructed about the classical configuration (j)c at this point or collective coordinate of the classical path a vector in the Hilbert space pointing in the longitudinal direction. Like the Goldstone mode in the above Higgs model it leads to a divergence in the Green's function of the theory. which. r'. ^ = h eip / \ ^2 l .7b). There the wave function with an associated vanishing eigenvalue is called a "zero mode". The elimination of the . (3=0 Fig. We have here an example of the Goldstone theorem which says: If the solutions of the equation of motion do not possess a continuous symmetry of the Lagrangian. In our later discussion of theories with nonconstant classical field configurations we shall encounter a similar. We can see the problem here by looking at Eq. Goldstone's theorem applies to fully relativistic field theories. the existence of individual perturbation contributions). the component which climbs up radially outward along the profile of the potential implying a tp2(x) term with the potential V(</>) and so in the Lagrangian density £. tangential to the classical path. whereas ipi(x) is y ' " " " " " ^ . then a massless boson exists.3 The spontaneously chosen phase seen from above. t. though not identical phenomenon.2 The Constant Classical Field 543 We observe: The field ipi(x) has acquired a real and positive mass whereas the field ^2 0*0 is massless! We observe that the field ^2(2) is that component of ip which is directed along the trough of the potential. irrespective of the question whether the perturbation series as such converges or not. has to be removed in order to allow a well defined perturbation procedure (i.22.e. of course. 22. i.e.r')S(t .

N. i.g. 7711 = — 1 ( 1 6 Minkowski manifold). t Potentials of this type have been discussed by M.8) where V[<&] is a self-interaction or potential of the field (to be specified later). and we choose the metric ?7oo = + 1 .544 CHAPTER 22.* Potentials of higher polynomial order in $ than $ 4 can also be considered. (22. The principal aspects will always be very similar so that it really pays to study simple models in considerable detail.* We consider the theory (later: quantum theory) of a real. In the following we will not be concerned with classical c-number solutions of the Euler-Lagrange equations which are simply constants. spinless field $(x. To insure that the energy (see below) is positive definite we require V[$] > 0. however. We make one more assumption concerning V which. . Lohe [179]. Khare [17].e. equates to zero the coefficient of this would-be-divergence. Muller-Kirsten [291]. instead we shall consider static and time-varying solutions in important models of one spatial dimension. we shall need only at a later stage. W. *S. Soliani [237].3 Soliton Theories in One Spatial Dimension We consider here the two basic soliton models known as <J>4 and sine-Gordon theories. Classical Field Configurations other components results from the vanishing mass and the constraint called the gauge-fixing condition which can also be looked at as the condition which removes from the Green's function G the divergent contribution. Rebbi and G.d^} = ~d^d^-V[^) = ^2-^(^j -V[$]. We see therefore that the classical c-number field configuration and the attempt to develop a perturbation series in its neighbourhood leads to intricate connections between symmetry properties. C. Zimmerschied and H. 22.t In particular the sextic potential can be considered along parallel lines. Behera and A. A. zero mass configurations and constraints even before the question of quantization of the fluctuation field T){x) can be considered.£) in one spatial dimension. J. F. Later we wish to develop a perturbation series about a classical configuration of $. see e. so that we are interested to have a parameter *For a collection of many informative papers on solitons etc. The Lagrangian density is taken to be C[^.

§ Unstable classical configurations are also important and will be considered in later chapters. but in such solutions which are subject to (ignoring the dimensional aspect) reasonable physical conditions.22.12) where the prime denotes differentiation with respect to $ . (22.l}. 1]. . i. The first such condition to be imposed is that the energy of the solution of interest must be finite.t) has an explicit time-dependence it is a Heisenberg-picture operator.l]. — m-$ 1 — cos Im 1 I ^ $ (22.«{x) = V'(<p). Since $(x.e. (22.3 Soliton Theories in One Spatial Dimension 545 which serves as the expansion parameter of the series. such that J > — — — = 0. t) is an observable (which in general — in field theory as compared with quantum mechanics — does not have to be hermitian although we assume this in the present example). The other condition which we impose (and study in detail) is that of stability. i. In fact to begin with we restrict ourselves further and consider c-number fields <> —• (f) which are static. at least in the present case.13a) We write such fields <j>(x). From Eq. Before we consider quantum aspects we study classical c-number fields which satisfy the Euler-Lagrange equation.9) with quartic potential is defined by ^V\g$\ = ^V\g*.10) n*] - m4 r 25 i- m2 and the sine-Gordon theory with cosine potential by ±V[g$} = \v[g$.g] = \ v m For instance. the so-called ^-theory = ^V[g$. (22.e. (22. In a quantum theory the field $ is an operator defined on a space of states. the reason for this condition being that we visualize the classical solution as representative of a lump of energy. (22. ^ ^ * + V'[*]=0. The field $(x. For this purpose we assume that V[$] depends on a scaling parameter g such that Vm = V[t>.13b) We are not interested in just any solution of this equation.11) (22.12) we see that they satisfy the Newtonian-like equation <j. 9 9 The Euler-Lagrange equation is seen to be (with c = 1) D * + V'[*] = 0.

n = & .e. i. <9$ i. dC • Too = -r?oo£ + -=r$ = -C + vr$ = H. 22. The energymomentum tensor T^ and the conservation law it satisfies are given by the equations dC T^ = -n^C + Q^^d^.17) Since we have to integrate over all space. (22. (22. We observe here already that the integrand of the integral in Eq. (22.14) where the overdot implies differentiation with respect to time t.T^ = 0.7r) where IT is the momentum conjugate to $ defined by dC ? r = .c = -<£z + .T = <I>. HI tanh m(x->k) 9 Fig.4 The wellknown soliton of $4-theory. the classical solution will therefore have to be such that this integral is finite.2\dx 2 ' 1 fd& + V[$].17) is reminiscent of classical mechanics if we interpret x as time and V(<f>) as the potential energy of a particle at location d>. (22.16) In the static limit we obtain therefore and write this as Em = H[<t>\ -+ E(4>) = fdx 1 2 \dx 2 + V(</>) (22.e. d. Classical Field Configurations The energy JE?[$] of the system is defined to be the spatial integral of the Hamiltonian density 7f($.546 CHAPTER 22.15) The zero-zero component is equivalent to the Hamiltonian density H. .

The energy is correspondingly obtained — as will be shown — as 4 m & 9 The typical shape of the configuration given by Eq. — XQ). m ( x . (22. Rubinstein [240].20) (22. . > . the $*-theory. i. it is not difficult to find classical c-number solutions 4>c to Eq.777.5.18) is depicted in Fig.11). (22. < = — tan [e > | ° ] 9 2 rrm/g — Fig.e. 22. 4m . Again XQ is an integration constant.1 .22.3 Soliton Theories in One Spatial Dimension 547 As we shall see below.4. The sine-Gordon theory differs from the Klein-Gordon theory in that it possesses invariance under the shift rf> — <f> + 2-n".18) Here XQ is an integration constant. 22.21) This sine-Gordon configuration is depicted in Fig.10) and (22. "The name sine-Gordon is derived from the analogous Klein-Gordon equation or theory. O±m(x-xo) (22. In the sine-Gordon theory^ the classical or soliton configuration is (see below) found to be (x) = ±4— tan" 1 with energy 777 .x n ). one obtains by straightforward integration (but see also below) the soliton configuration m 4>c{x) = ± — t a n h 777(2. (22. 22. in the case of the first.5 The soliton of sine-Gordon theory. In fact. See J.13b) for the specific potentials (22. around <j> = 0 the sine-Gordon potential behaves like the Klein-Gordon potential proportional to 2 4> .

and hence 4/71 9<t>{x. With we obtain |g(/>(a.10) we obtain f<t>{x) x — XQ i 9 ! -1 = ± / J<j>(x0) dtf>- 1 .13b) which we can write d \W? = !-"(•».o)| =m7r.11) we obtain r<Kx) Jd> 4>{x0) m d{g<t)/m) 9 ml g V h(l-cos&) m or m(x — XQ) I. (22.1 "»JtKxo) 9 1 .^^! m ^m <p(x0) m 4>(x) = ±—tanhm(x — XQ). Classical Field Configurations The solutions (22. . In the case of the sine-Gordon theory defined by the potential (22.* ( m' m 2 r)] ^2" .e. 4m In tan tan 5 l/e±m(*-xo)tan^£^)U. Inserting the potential (22. ± 1[tanh. or \(<P'? = V(4>)+ const. Thus J<t>(xa) \/2V(6) JXOJxn U(x0) y/2V{</>) dx = x • XQ.9 2 4>{x) = i.20) are obtained from Eq.548 CHAPTER 22. 0(x) = ±4—tan" 1 j e * " 1 ^ " * 0 ) ! .18) and (22. <^>(x) = ± dx x=g4>/m \ / 2 ( l — COS X -I Am dx lx x=g4>/m A / 4 s i n 2 ±1 In tan . Here the constant is zero for V(<p) and <j>' zero at x = ± o o .

4 Stability of Classical Configurations The concept of stability can be complex.19). SE((f>) 5cb(y) 0. Then we have to demand that the functional derivative of the energy E(<p) be zero.23) See for instance R. A state of stability is therefore associated with minimized action and/or energy. the others as antikinks. The expressions (22. in the one-dimensional Ising model. this does not require the action to be minimized. (22. instead of doing this now. However. This is called more precisely "classical stability J The Euler-Lagrange equation is obtained by extremizing the action or Lagrangian. 22.4 Stability of Classical Configurations 549 Prom their monotonic behaviour the solutions <f)c in these cases derive their name as "kinks". Suppose now that we demand stability in the sense of minimized energy. (22. however. The relation (22.e. Jackiw [141]. i.21) for the energies can also be obtained from Eq. Naively stability means that a system does not deviate appreciably from a state of stability (or equilibrium) if it is allowed to fluctuate between neighbouring states. .22) and that its second variational derivative be positive semi-definite.22. The kink solutions are also frequently described as "domain walls" in view of their analogy with the domain separating upward spins from downward spins as.17) implies dx Jdx dx n£)' + ™ ( ' • # \ dx J S(f>(y) \dx and with partial integration we obtain f dx d fd<f>\ dx\dx J | 5V(</>) 5(x -y) + 5(j)(x) Tx5{x~y) . the discussion of Bogomol'nyi equations) in a simpler way. (22. (22. the curves rising monotonically from negative to positive values are known as kinks. we obtain these expressions later (cf. for instance.17).

25) Before we begin to study this equation in detail for specific potentials we can make a very important observation on very general grounds.26) Comparing this equation with Eq. if we apply the generator of spatial translations d/dx to the classical equation.24) For so-called "classical stability" the differential operator of this expression has to be positive semi-definite.e.13b) with classical solution 4>c. (22. = 0. dx (22. and the Euler-Lagrange equation retains this property. in fact ip0(x) const.13b) retains the invariance although the solution (f>c does not. i. Classical Field Configurations Since y ^ ±00. a very general phenomenon which can be established as follows.13b). In fact.a / 0 is not the same. its eigenvalues w\ > 0.e.28) . (22.27) shows that the zero mode results from application of the generator of translations to the classical c-number field configuration. The eigenfunction 4>'c{x) is for this reason called a "zero mode". the integrated contribution vanishes. of course. Thus the vanishing of the first variational derivative yields again Eq. The original Lagrangian was.e. Assume that S[U] is invariant under the transformations of some symmetry group G with elements g = exp(i\T) € G. i. i. A theorem on zero modes Let S[U] be the action of some field U defined on Minkowski space. Thus we have to investigate the eigenvalue spectrum of the Schrodinger-like equation d2 + v"{<t>c ipk(x) = wkipk(x) dx2 (22. Since it arises from the violation of translational invariance by 4>c. Thus for every translational shift "a" we obtain a new solution </>c in much the same way as we obtained new solutions by a change of phase in the Higgs model which we discussed before. the function 4>c(x + a). Proceeding to the second variation we obtain at 0 = <fic the relation 52E((j>) 5<j){x)5(t)(y) S(x-y). dx2 + V"{4>) (22.550 CHAPTER 22. This is.-A. The Newton-like equation (22. Eq. written down in Lorentz-invariant form. if 4>c{x) is a solution. in fact. we see that the latter has one eigenfunction. (22. with eigenvalue w2. (22. namely (p'c. (22.25). in particular the invariance under spatial translations. it is also called a "translational mode". we obtain 4'(x) = v"(4>c ^ or d2 dx2 4>'c(x) = 0.

this integral has to be finite.]. and that S[UC] is finite (or equivalently the energy). = 0.27). In the one-dimensional case under discussion we can rewrite Eq. i.] = 0 or x—>±oo lim V{(/)c) = 0 for const. (22. / -oo Thus for E(4>c) to be finite.30) Differentiating this with respect to A (applying —id/dX) and setting A = 0. in fact. lim [V(<f>c) + const. i. (22. Invariance of S[U] under transformations of this group implies S[U} = S[gU].32) = V'(</>). Thus TUC is a zero mode. (22. 0 = S'[UC] = S'[gUc}.e. We shall see later that these zero modes lead to undefined Green's functions for the semi-classical perturbation expansion unless one or more suitable constraints are imposed. and we have seen that Eqs. we obtain 0 = -i^S'[exp(iXT)Uc]\x=o = S"[UC](TUC). (22. (22.29) Suppose now the Euler-Lagrange equation possesses the classical c-number solution Uc. (22.13b) as ~d~4> > ' The first integral of this expression is \(tfc? = V(<l>c) + const.17) we obtain oo dx[V(4>c) + const.18) and (22.22. Then the vanishing of the first functional variation implies that 5S = 0.e.33) x—>±oo . We see therefore that the occurrence of these zero modes is a very general phenomenon.4 Stability of Classical Configurations 551 where T is a generator and A a parameter. As stated above. it is an expression like (22. The right hand side can be interpreted as meaning: The application of the second functional derivative of the action (at U = Uc) to (TUC) is zero.20) are such configurations in two particular models. We can choose the potential V such that the constant is zero. (22.31) Inserting this into Eq. we are interested in classical c-number field configurations of finite energy. (22. We return to our considerations of stability.

The solutions can be characterized by an integral number called the "topological (quantum) numbcf^ "topological charge" or "winding numbed (for an illustration see Example 22. (22. Classical Field Configurations V Fig. V{4>) = 0 at different values of </>). ± 2 .34) jfc" = e^dv(l since d^k^ = 0.11) we must have correspondingly for x — ±oo: » 771 9 -2vrn.552 CHAPTER 22. n = 0 . . the potentials have degenerate minima (i.6. .c o and another for x — oo. . in view of the antisymmetry of eM^. In the sine-Gordon theory > • defined by Eq. In the case of the 3>4-theory we can define a conserved current k^ by (22. 22. (22.e. (22.1). the classical field (bc must approach one minimum for x — . ± l .10) we must therefore have that for x — ±oo: 4>c — ±m/g as indicated in Fig. For a configuration to have finite energy. oo J—oo y The topological quantum number q is defined by 0.6 The minima of V in $4-theory at x — ±oo. 22. Solutions which approach > > the same minimum for +oo and —oo are the constant solutions <f>c = ±m/g in the $ 4 -theory. . The charge Q is therefore given by dxk° = / dxe01di(bc = [ ^ ( s ) ] ^ = ±—. . » In the <fr4-theory defined by Eq. Thus the classical energy or vacuum configuration is not unique. This number is defined like a charge in field theory by the spatial integral of the time component of a current.35) and it is seen that in this case q can be ± 1 or 0.

36) -oo Consider the $ -theory with 4>c — ±m/g for x — ±oo.7T (22. Thus the condition of finiteness of energy does not permit A</>c deformations in this case other than those with \ = eix(-e) for X (0) = O. Then for x — ±oo: > > > V(\4>c) (2 ^ 0 ) ? 4z( 1 . . x—>±oo so that under such deformations the configuration remains in the same topological sector defined by the boundary condition. A property is. Thus we expect the constant solutions (which are characterized by topological number zero) to be nontopological in some sense.37) for the one-dimensional case here.A2)2 + 0 except for A2 = 1.38) 4 V(\<t>c) ->m ~2-[l .11) are given by ( so that for x — ±oo: > — J. We can see this as follows. In the case of the sine-Gordon theory the minima of the potential (22. .7r) does not change a boundary condition lim [\<t>c{x)\ = (/>c(±oo). 2g Thus even without varying E with respect to A we can see that E(X(f)c) is finite only for A = ± 1 . The difference Tfl 4>c(oo) — 4>c(—oo) = 2-7T—An . .4 Stability of Classical Configurations 553 Since we call q a topological quantum number. one may ask how topology comes into the picture.cos(27rnA)]. Again we see that E(\<f>c) is finite only for A = ± 1 . zero is not a meaningful topological number. First. Such a smooth deformation (in the sense that exp(i%((2))<^c depends smoothly on 6. continuous values.22. and exp(ix(0))<pc reduces to 4>C when x(#) = 0. if it remains unchanged under continuous deformations of the (field) configuration while preserving finiteness of the energy. Tfl \ (22. termed topological. . in general. Thus we consider the family {X(pc(x)} of (field) configurations where A is some parameter which assumes real. ± l ± 2 . For such configurations we have the energy oo 2 2 dx ^ A ( ^ ) + y ( A ^ / (22. and we call this "topological stability. n = 0 .

554 CHAPTER 22. (For a broader view we consider briefly in Sec. -00 (22. Thus with one space dimension higher there. Eq.** (b) the time component k° depends only on <p but not on momenta (again in contrast to the case of Noether currents). W.13b) or ^ ' ( * ) ] 2 = V(</>). .e. The inequality is saturated.17)) f 00 > 0.g.9 the foregoing arguments in a higher dimensional context.42) Thus the energy has a lower bound given by the right hand side of this inequality.34) is conserved independently of the equations of motion (other than Noether currents whose conservation follows from the equations of motion). Eqs. (22. -00 (22.428.41) dxy/2V{$)4>'{x). (22. We observe (a) the topological current k^ of Eq.40) (22. From this we construct the inequality [</>'{x) = Vm^)}2 F Since (cf.-^ = N. 22. its integral is nonzero only on account of nontrivial boundary conditions. (22. Miiller-Kirsten [215]. the factor A = exp[ix(#)] varies over a complete circle).5 Bogomol'nyi Equations and Bounds We have seen previously (cf.43) **See e.31) to (22. if oo / dxy/2V{<l>)<f>'{x). pp. (d) the topological quantum number iV arises in a completely classical context.39) E(cp) = J — 0 0 we can write / dx oo ~1 2(0'(x)) 2 + y(^) (22. (c) the time component k° is a spatial divergence. Classical Field Configurations involves the difference An = rioo — n. 22. 425 . H. i. the energy is minimized. J. (22. where n±<XJ are the integers n corresponding to the minima of the potential at x = ±00.33)) that the classical configuration cf)c is the solution of the nonlinear second order differential equation (22.

In the sine-Gordon theory we can consider. Eq.5 Bogomol'nyi Equations and Bounds We observe that (cf. In order to obtain a better understanding of how topology comes into the picture we recall that the sine-Gordon theory has an interesting analogue in classical mechanics. B. We discuss this in the following Example. Bogomol'nyi [27]. (22. y/V(ft) > 0) oo =2nnm/g r<p=2imm/ g / dxy/2V{<f>)</>'(x) -oo /•rj)=2Trm/g = / J<j>=0 d</>y/2V(<f>) = = n Jd>=0 rt=Mmlg n / J<p=o d<f>y/2V(<l>) 2 / ^\ — # W 2 1-cos— .^ Clearly it solves the second order equation or (22. n E .n > 1.39). Here (V(c/)) > 0. m 9 V V / and with x = g4>/m this becomes P IA\ -CTnin(0) = = /^ J /^ V ™3 f2W A I A • 2X n—7T I ax\/2ll — cos x) = n—7T / ax* Asm — Z 3Jo 2ir r 9 Jo V 2 2m 2 cos — n — n^-[-2(-l)+2] 2 ~ m3 8m 3 = n—rrin agreement with Eq. In the case of the <fr4-theory we obtain 9 9^£ 3m? <t>{c°)=rn/9 <f>(-oo)=-m/g m 3 / j \ 4 m 3 9 2 2 9V 37 3^' which is the expression given by Eq. .21). for instance.40)) this occurs when 4>'(x) T V2V(4>) = 0.19). 555 (22.40) is called the "Bogomol'nyi equation" since it was first introduced by Bogomol'nyi. (22. (22. the set of configurations (fic which interpolate between 0(—oo) = 0 and <f>(oo) = 2-nnm/g.22.44) This first order equation which saturates the inequality (22.

ka —> K.7.e. rotate) only in the (y. V dt „ 1 (d4>_ dx • i^gr(l — cos(j>) (22. total energy of the system is with the number of pendulums allowed to become infinite *= £ i ''( "' ) . with mass m and connected with short strings to neighbouring bobs.g. so that oo > u. 22. Fig. from the y-axis as shown in Fig.556 CHAPTER 22. H. xn+\ — xn = a) 00 a —> dx. Assuming that the pendulums can move (i. At equidistant points xn = na along this string we attach strings with pendulum bobs. Classical Field Configurations Example 22. Goldstein [114].g.1: Classical analogy to sine—Gordon theory Consider a string along the x-axis. Chapter XI.i)) The continuum limit is obtained by t a k i n g ^ (since xn = na. .t) 2 V dt The energy of interaction with neighbouring bobs is (recall "fcx 2 /2") k[(f>(xn+i. Construct an expression for the energy of such a classical system and its Lagrangian.t)\2 +mgr{\ .t) 4>{xn.ij\2 Thus the The potential energy due to gravitation is (maximal for <j> = 7r) mgr(l — COS <f>{Xji. The kinetic energy T of the bob at position xn at time t is (recall " m r 2 r / 2 " ) 1 —mr 2(d<j>{xn.cos</>(x„. z)-plane and only such that their elastic strings remain taut the position of any one of the pendulums is determined completely by an angle <p(xn.e. all being identical.t) -<j>(xn.2 V dt + -k[(f>(xn+i. We can now write down an expression for the energy of such a system of (say) n pendulums. } n= — oo roc —> / L J .46) **See e.45) We can therefore write the Lagrangian L=T-V• r dx -fir P 1 2 .t) measured e. Assume that the pendulums can move (i. Initially the pendulums are suspended freely in the gravitational field. 22. Solution: Consider a string along the x-axis as described. z)-plane and only such that their elastic strings remain taut. t)). rotate) only in the (y. * / dx -OO + 2^ V dt 1 K (d<t>\ 2 \7T I + ^9^(1-cos 4>) (22.7 The pendulum analogy.

6 The Small Fluctuation Equation 557 Thus if the classical vacuum corresponds to the case when all pendulums are pointing downwards.t).25) obtained earlier.49) exp(-iwkt)ipk(x). is therefore also called "winding numbed. 22. Hence we set ${x.25) which we obtained as the condition of classical stability for eigenvalues w\ > 0.13b) we have for small fluctuations rj(x. wk would be imaginary and so the factor exp(—iwkt) in rj(x.t): {w With the ansatz r)(x.50) This equation is identical with Eq.t) = °- (22'48) (22.e. (22. each finite energy configuration beginning and ending with a classical vacuum corresponds to an integral number of rotations about the i-axis (i. and so would invalidate the procedure which assumes that rj(x. Eq. of the continuous curve in Fig. t) = ^ k ~ iL2)71^ + V "^c{x))'q[x. (22. 22. (22. ' Equating coefficients of exp(—iw k t). If some w\ were negative. t) of Eq.47) where n(x. We can understand what stability means in the present case. we see that ipk(x) has to obey the equation 92 dx2 +V"{(t>c{x)) ^ fc (x) = w^k{x). (22. which represents an expansion in terms of normal modes.7 linking the pendulum bobs). The equation is called stability equation or equation of small fluctuations. This number.12) we obtain d2 d2 \ Since (j)c{x) obeys Eqs.47) into (22.t) = <l>c(x) + r}(x. Inserting (22. t) is the fluctuation (field). the topological quantum number.t) is a small . (22.22. (22.49) would imply an exponential growth in the future t > 0 or in the past t < 0.6 The Small Fluctuation Equation We now return to the Schrodinger-like equation (22.48) becomes ( d2 \ X I [-Q^2 + wl)Tpk(x) e*v(-iwkt) k ^ X = k ^2v"{4>c{x))iljk(x)exp(-iwkt). We are interested in studying (field) configurations $ in the neighbourhood of the classical solution cpc. It is instructive to obtain this equation by yet another method.13a) and (22.

18).558 CHAPTER 22. The equation of small fluctuations (22. we obtain V"(<t>c) . (22. Classical Field Configurations fluctuation. V"((/)c(x)). t) have to be orthogonal to the zero mode (which is thereby circumvented) so that the Green's function of the expansion procedure exists. V"(<b) = -2m2 + 6g2(f>2. since we shall need the explicit form of V"{<f>c(x)) we calculate this for the two cases: (a) ^-theory: Here "<*> = ^ | i n*) = -2m 2 (l-£^)*. we obtain V'^c We have m cos ± 4tan" 3±m(:r—xo) (22.2 m 2 + 6m 2 tanh 2 m(x .x0) = —2m + 6m 2 (l — sech 2 m(x — XQ)) 6m Am' cosh m{x — XQ) = (22.A \ Inserting <f)c of Eq. In fact. . the zero mode. approaches a constant value which is nonzero in both the <54-theory and the sine-Gordon theory. is a vanishing eigenvalue w\ = 0 acceptable for stability? Apparently for w\ = 0 the energy is not minimized in the direction of its associated eigenfunction. If that is necessary.e.20).e. This means that the stability is not universal but only local in a certain sense. cos46» = 2cos2(2(9) . For x — ±oo the quan> tity acting as "potential". we shall see later that the fluctuations n(x.1. and need 9 = tan" 1 j e±m^Xo) 1.50) has the general form of a timeindependent one-dimensional Schrodinger equation.52) tan 6 := e±m^xo). i. Inserting (j)c of (22. In fact.51) (b) Sine-Gordon theory: Here 1 — cos m m 9 V"(<f>) = m 2 c o s f ^ . Thus for stability w\ must not be negative. i.

— XQ)] cosh[±m(x — XQ)]: 1 .tan26> l + tan 2 i9 / 2 (cosh 2 m(x — XQ) 1) — cosh m(x — XQ) cosh m{x — XQ) 1cosh m{x — XQ) 2m 2 cosh m(x — XQ) Thus V'fa) = m2 xo)) d2 . and as a consequence a limiting form of the small fluctuation equation of all basic potentials.6 The Small Fluctuation Using the formula cos 20 we obtain cos 40 1 .55) The differential operator is even in z.* For such a potential the spectrum can be b o t h discrete and continuous. Consider the equation fd2 dz2 . We can investigate the spectrum as follows.56) *We shall see later that the Poschl-Teller equation is a limiting case of the Lame equation. which satisfy the boundary conditions V>-(o) = o. . i. The eigenfunctions of the discrete case vanish at ± o o and are square-integrable.2 (22.53) = m(x — (22. even and odd solutions.ijj^ respectively. Those of the other case are complex and periodic at infinity.tan20 1 + tan 2 # Equation 559 1 — e x p { ± 2 m ( x — XQ)} I + exp{±2m(x — XQ)} sinh[=Fm(a.22. (22. ip+. We can therefore construct solutions of definite parity.e. A | *(* + !) cosh 2 z tp(z) = 0. we see t h a t the equation represents a Schrodinger equation with a potential which vanishes exponentially at ±oo.54) Eckhardt Hence in either case the stability equation is of the form (setting z 1(1 + 1) cosh z TP(Z) = w -^iPiz) m* Regarding —1(1 + 1)/ cosh 2 z as the potential or Poschl-Teller potential — and setting it is known as the A = 4-*2 as the eigenvalue. -^+(0) d 0. (22.

i. i. 2n < Z.59) Setting (22.l2 = . + \{\ ) 2 ~Q"m 1/2 oo «n+l (n + i ) ( n + l ) ( n + ^ ) ( n + ± .( 2 n .60) n=0 n=0 oo we find the recursion formulas x+(o = E ^ " > n(n-l) = x-(o+=l £ £&»£n.Z)2.58) = (1 + sinh2 z)~l/2x(z). A -* An = . Classical Field Configurations We now set (with ip either ip+ or ip-) tp(z) = (cosh z)~lx(z) and change to the variable £ = sinh2 z.57) Then the equation for x{z) 1S (22. (22. i.Z ) 2 .e. .I) .560 CHAPTER 22.e. when in the even case n ( n .4 n ( n .e.61) Discrete eigenvalues are obtained when the series (22. + l2) = 0.e. Since for £ — oo: * the function ^>+ is normalizable provided -Z > n.Z ) + ^(A + Z2) = 0. A ^ An = . and in the odd case n+\)U+\-l)+\(\ i.( 2 n + l .60) terminate after a finite number of terms. (22.Z ) + |(A + Z2) "n+1 (n + l)(n + §) &n- (22.

m i. (22. 2 ..54) by setting X = k2 Then 1 .\=K-l2 From (22.e. for N = 0.50) we obtain with z = m(x — xo) tp(z) = 0. w2 = Am2.11). (22.63) d + K(2ik - 2LO)—V ' dijj' + 1(1 + l)V = 0.j < I .2Z = ..e. (22.51) into (22.2.62) we see that the equation possesses discrete eigenvalues w —2 .( 2 . °2 i. d w = tanhz.e.6 The Small Fluctuation Equation 561 and the function ip.22. N = 0.1: w2 = 0.is normalizable provided 2(n + .u2)—^V 2 dio and ip(z) = elkzV{to).1.63) we see that the continuum starts at A= 2 2^ = 0.Ny.. (a) ^-theory: the equation Inserting (22.10) and (22.. (22. (22. 3m 2 .N<1. From (22.62) where even (odd) iV are associated with even (odd) eigenfunctions. We can now derive the spectra of the stability equation for the potentials (22. the continuum is w > Am2. m N<2. We can see the continuous spectrum of Eq. We can summarize the results in the statement that the discrete eigenvalues are A = -(Z-AT) 2 .65a) _dz2 cosh 2 z l=2. i.64) This is the equation of Jacobi polynomials V\a' (u/) with a = —ik of degree I in tanhz.

Thus it has no node and so represents the eigenfunction of the lowest eigenvalue. . This property can. 22.66) We see that this is a nonvanishing function for any finite value of x. Classical Field Configurations (b) Sine-Gordon theory: Inserting (22.8 The zero mode as typical ground state.65b) dz2 cosh^J. so that its derivative is nowhere zero (except at ±oo). Thus 4>'c(x) has no node. 22.=1A=^_. N<1. In the $ 4 -theory we saw that (cf.e.27)) . It is now particularly interesting to look at their wave functions. m d ..50) we obtain with z = m(x — XQ) the equation (22. i. Thus either spectrum contains the expected eigenvalue zero. %(x) Fig.. also be deduced from d(j)c/dx. m m ipo{x) oc —<fic{x) = ——tanhm(x — XQ) = g cosh m(x — XQ) dx g dx (22. . The zero mode is depicted in Fig.562 CHAPTER 22. d . the zero modes. .2 The discrete eigenvalues are now given by w -^-l m^ = -(l-N)2. and — as expected — this eigenfunction is even. of course.8 and we see it has the shape of a typical ground state wave function. Eq. (22. . .53) into (22. We know that 4>c is a monotonic function. for N = 0: to2 = 0 and the continuum starts at w2 = m2.

70) . . (22. (22.22.t a n h x .6 The Small Fluctuation Equation 563 In the sine-Gordon theory the zero mode is proportional to . ipo{x) oc —<bc(x) ax oc 4 m d _i Q±rn(x-XQ) —tan e g dx m D±m(z-a.o) ±4 m g l _|_ e ±2m(x-x 0 ) 1 cosh m(a. without quantum corrections).= E(<f>c). 1 o rrr tanh x — . Imposing the condition F we have in the <I>4-theory: /•oo dx[^o(x)}2 = 1.3 . . d .69) The quantity MQ here is called the mass of the kink (it is the mass of the soliton solution only in the classical approximation.-oc (22. — XQ) OC Hence the conclusion is similar to that in the previous case. . Similarly in the sine—Gordon theory we write so t h a t 4 /-oo * " / > & • ) -W171 dx oo cosh m(x — XQ) TYl = 4 — [ t a n h m O r . .68) d{mx) m(x-x0) 4 m3 3 ^ g Ml J cosh / i.67) J —( Mx)= and hence m w0i^ 1 2 4 m ±—tanhm(x — XQ).e. (22.z 0 )]-oo = 8 . Finally we consider the normalization of the zero modes.e. i.

T(4>).e. however. J As a first example we consider the expression (22. Goddard and D. (2. Derrick [68]. ddx {V4>f + v{4>) (22. Affleck [5] who uses in his Eq.g.* The general scaling argument used for this purpose was first introduced by Derrick t and is therefore referred to as Derrick's theorem. Kastrup [145]. *See e.564 CHAPTER 22. H.71) We now consider the scale transformation (with 'a' some number € R) 4>{x) . I. Classical Field Configurations 22.4) <j>(x) —• a<f>(ax).72) with T{$) = I' ddx]-{V(j))2 > 0. for if such configurations exist in a realistic theory with three spatial dimensions. I. *The considerations of this section extend in part beyond quantum mechanics and into field theory. f G . We now wish to inquire whether static finite-energy configurations could exist in more than one spatial dimension. to underline the fundamentally different nature of topological and nontopological finite energy configurations. H. i. .g. (22.> 4>a{x) = 4>(ax).73) n<(>a) = j ' d^V^)2 = a2~d / dd(ax = J' ddXl-{V4>(ax)f d 4>{ax) 5ax .7 Existence of Finite-Energy Solutions So far we have been considering the case of one space and one time dimensions. we consider E(<P) which we also write as (22. Under this transformation (the verification is given below) £(</>) ^ E(</>a) = T(cf>a) + P(</>a) = a^T^) since for instance + a" d P(0). One can have different types of scale transformations — see e. P.g.2-d. This difference may not always be appreciated later in our very analogous treatment of (topological) instantons and (nontopological) bounces. it is important to understand their physical implications.41) for the energy of the classical configuration but now with respect to a d-dimensional position space. ^For basic aspects of scale transformations see e. Olive [113]. P(</>) = f ddxV{(f)) > 0. They may help. A. This question has important consequences. The arguments of Derrick were later rephrased by several authors whose line of reasoning we shall be using here.

.xd).75) Since both T and P are > 0 and d is integral. we write • = lim J r . It is convenient to discuss this limit in terms * of the directions of unit vectors from the origin to the (d — l)-dimensional surface in d-dimensional Euclidean space defined as the unit sphere S*-1 = {x|x 2 = 1}. In fact.. d = 1 minimizes the energy.74) From (22. Thus this scaling argument excludes the existence of static finite-energy configurations of the given theory in more than one spatial dimension. x = (x1.V(<P) (22. since d2E(<pa) da2 2(2-d)T(<f>). (22.77) with V(4>) > 0 and x G Rd and the set of minimum configurations Mo := {4>\V{4>) = 0}. the second derivative is positive) only for d = 1. a=l (22. Consider first the Lagrangian density £[&M = \{d^)(d^) . i..79) In order to emphasize that (f> — (p^ in any direction.76) we see that E(<f>) can be minimized (i. we see that the stationarization of E with respect to a is possible only for d = 1 as in the examples we have been considering so far.22. (22.71).73) we see that this implies (2 .\ eMo(22.e. Can the energy also be minimized for more than one spatial dimension? To see this we stationarize E(<f>a) with respect to a.e.x2.. we set 0 dE(<pa) da J a = i (22. Next we consider more complicated cases. (22. (22. to be finite the field <P ~^ 4>oo £ -Mo for |x| — oo.80) .78) For the energy of a static configuration. i.d)T(<f>) = dP{4>).7 Existence of Finite Energy Solutions 565 We saw that the static configuration with a = 1.e. It is also a virial argument in view of the virial theorem relation T{<j>) = P(<f>).

e.1 (A) Topologically nontrivial mapping x = +00 : S = +1 x = -00 : 5 = .1. .1 manifold Sd~1\d=i <-• manifold Mo <—> 0 O = 27rn^ Q <—> 0_oo = 27rn'^ kink limits (n-n'/ 0) const.e.38).and sine-Gordon theories we assumed $ to be real. therefore. Thus in this case S^1 is a disconnected set consisting of two points.81) and (since d = 1) S = ± 1 . = —00 : S = — 1 <—> ^-oo = 27rn^ The topologically trivial case is given when the classical vacua associated with S1 = + 1 . These observations are summarized in Table 22. (ptx = <f>-oo. the easiest way to visualize points at infinity is to take a circle Sl of radius r and let r — 00. i. and. x = 00. (n — n = 0) (B) Topologically trivial mapping x = +00 : 5 = +1 <—> <> o = 27rn^ /o a. — 1). as is the case for the constant solutions. Then each point at infinity is characterized by a different value of the polar angle 9. A correspondingly topologically nontrivial field theory would therefore have to possess a!7(l) symmetry as in the complex Higgs model (recall that in our considerations of $ 4 . —00 or equivalently S = + 1 . —00. Table 22. 0oo 7^ <>< > in the case of the kink solutions) and /-x associated with this a set of disconnected points in space (00. is a connected region. Classical Field Configurations In the sine-Gordon theory (d = 1) the equivalent statement is (22. Thus in order to obtain a topologically nontrivial case we must have a different classical vacuum in association with each point at infinity. S1. that we have a set of disconnected classical vacua (</>oo><^-oo. one set can be mapped into the other. of • course. in fact. —1. If we go to two spatial dimensions (d = 2). the Lagrangian of these theories therefore does not possess the U(l) symmetry of the complex Higgs model but instead invariance under replacements $ — — $ and $ —• $ + 2TT > > respectively). i.e. are the same.566 CHAPTER 22. ( with — = lim <pc(x) 9J *->±oo TYl \ (22. i. We see.

we have w e ca {Mx)}> and 1 3 1. given any (00) = |«Koo)|e* = -<?[<p(xMx)-a2]2 567 say with 9 — 9$. Similarly. cj)(r. Then the entire set of configurations (f)^ = \4>oo\ exp(i#) would correspond to. if cj> were real and position space two-dimensional. . We see. 00. phase transformations 6Q ^> 9Q + 59. Thus. the one point S = + 1 . by allowing <fi to have three components in some "internal" (isospin) space. i.2. the manifold of classical vacua would have to possess a similar geometry if the theory is to be topologically nontrivial.e.1 .e. 9) would depend only on r = |x| and hence the problem would be effectively one-dimensional. On the other hand.e. we would have only two points at infinity. that if the problem is to be topologically nontrivial. assuming invariance of C under the transformations of the group SO(3) in internal space.22. —00 or S = 1 . $(r) : Sl .3 (^real) v{4>) = -/ (22. if <p is real. (22. i. for instance. Thus. 9)) Mo = {</>(oo)|</>*(oo)0(oo) = a2}.e. This will be "nontrivial" in the above sense only if 0oo is independent of 9. to have topologically distinct classical configurations. therefore. the field must map position space into field space at infinity. * n reach any other <^(oo) by simple phase shifts. if we consider a theory in three spatial dimensions and so the unit sphere S2 = {x| x{ + xl + xl = 1}. VMx)) with (0(oo) = linv-xx) (p(r. i. map into. If position space were one-dimensional. i.82) Now Mo := \ 4>(oc) ^24>2 = a2\.e. i. i.• M0. This can be achieved e.7 Existence of Finite Energy Solutions Suppose.e.83) .g.

e.Av - dvAf i where 0 is a complex scalar field and the spatial dimensions are 2 or 3. depending on d) and correspondingly (with n complete windings) the transformation of one classical vacuum into another. the subsequent discussion requires only the general form of the Lagrangians. we cover <S^_1 n times.568 CHAPTER 22. sphere.eeabcA*Avc and (V^U = d»<t>a eeabcA^oWrite the energy E(<j>) of such models (the functionals F and V containing no derivatives) £(</>.e. L. a = 1. Classical Field Configurations The manifold A4Q is a sphere in a 3-dimensional Euclidean space. % . In the following Example the use of Derrick's theorem is demonstrated by application to some gauged theories. Glashow [108].3. through each point at infinity). Any 4> £ MQ can be reached from any other cf> e Mo by application of an element of SO(3). In order to preserve lim y ^ i a\ such rotations must tend to the identity at r = oo. $ — $ + 27 > • -T in sine-Gordon theory. . circle.„ where G r = 9 M £ .e. it is effectively a surface (and so a continuous set) S2. A) = T(4>. the winding number is n. The theories are: (a) The Nielsen—Olesen (vortex) model (also called Abelian Higgs model) " with Lagrangian density V(4>) = Ug2 2A 9 2 FM„ = du. Olesen [220]. if SO (3) nonabelian) are two models defined by the following Lagrangians which we cite here solely for the purpose of being explicit. Georgi and S. a theory being described as 'gauged' if a gauge field like the electromagnetic field is involved.2: Derrick's theorem applied to gauged theories Wellknown and important theories involving a gauge field (AM if abelian and -A". B.2. i. A) + T{A) + P{<j>). $ — $exp(ia) in a U(l) symmetric theory.</>] = -~G^Gai. $ — > > $ exp{i Xlo=i Pa. going once around S%~1 (i. the appropriate rotation. 11 H. Summarizing we see that </>(x) is a mapping from S^T1 to <S^-1.. Nielsen and P. . The symmetry of the potential (and Lagrangian) — i.V{4>a].a M J . + i ( D " f t W ) a .Ta} in an 50(3) invariant theory and so on — determines the transformation from one point at infinity to another (on a line.. so that details of these models are irrelevant. Example 22. i. (b) The Georgi-Glashow model I! with nonabelian gauge field in 3 spatial dimensions with Lagrangian density (V as under (a)) £[AM. invariance under replacements $ — —$ in $ 4 -theory.e. If.

d /" d d x ' a</)(x') <9x' d</>(Ax) 3x M A 2 /" ^ ( A z ) d<p(Xx) A / A^ d(Ax M ).84) in this way one finds that the quantities involved transform T ( ^ . We now consider scale transformations with A £ R.d)T(4>. i. i.A) P{4>) 569 j / i F ( « ( P ^ ) t ( P ^ ) „ > 0.. it must be stationary with respect to arbitrary field variations and so with respect to the above scale transformations also. (22. A). 4>Y We have T«(4>A) = J ddx(d„4>x)2 = J dd . A. A A ) = A2-dT(^.i T(AX) = X4~dT(A). > Since T>IJ.A).T{A).7 Existence of Finite Energy Solutions where T{<j>.Ax) dX Since T((f>. we have {^-/»)A^ (22.d T ( A ) + A-dP(</>). (22. and so B ( ^ A . = 0. Thus we set dE(<fix. negative.d)T(A) .<^[x) transforms like a vector.dP(4>) = 0.22. l j ddxGijGai] > 0. (i)^ 2-d T Considering the contributions of (22.84) is positive semi-definite and so must be finite by itself. Mx') = E with a scale transformation x — x' = Ax. <0 ->• <£A(X) = <KAx).87a) C?M„(x) — \2G^{\x). Solution: Each contribution in (22.86) (22. J 4 ) + A 4 .85) Here the difference in the transformations results from their difference as scalar and vector quantities which are defined by the transformations ^V) = 0(x'>.e. A) + (4 . (22. ->• A„ x ( x ) = AAM(Ax).84) and investigate the existence of finite energy classical field configurations. P(tf>A) = A " d P ( 0 ) If £ is to allow a static finite-energy solution.87b) We consider explicitly the example of <j> — </>\(x) = <p(\x) for > T ( V(4>):= Jddx(d. some contribution must be . ^ A ) = A 2 . T(A) = f ddxV(4>) > 0.89) P{4>) are positive semi-definite and not all zero. (2 .e. (22. (22.d T ( ^ .

(c) For d = 3: All three terms must be present as in the Georgi-Glashow model. From this development one knows that in the superconducting state of the metal the electrons combine to form pairs called "Cooper pairs'" which then have bosonic properties. (b) For d = 2: A theory with all terms would be a candidate — in fact the Nielsen-Olesen theory is an example. Classical Field Configurations (a) Thus for d = 1: P(4>) must be present but T[A] and so the vector field would not be required to satisfy Eq. a = a(T) = a T —T c .90) and we would have to add to Eq. There are other posssibilities if we permit higher powers of derivatives as in Skyrmion models. J. We first demonstrate — as a matter of interest — that the Nielsen-Olesen theory for static equilibrium (i.e. of course.t) such that | ^ | 2 describes the density of Cooper pairs. An explicit and solvable Skyrmion model in 2 + 1 dimensions is considered in D. In the following we consider a related theory. if we allow a term T^ 4 ' {<f>) with fourth powers of derivatives. W.g. H. H. T^{<t>x) = \4-dT(</>). D.** e. ft V . (22.92) The expression ^ ( x ) ! is known as the "order parameter. exemplified by soliton and sine—Gordon theories. (22. This case is. tt The — now established — microscopic BCS theory of superconductivity was formulated some eight or so years after the macroscopic Ginzburg-Landau theory. a > 0. A) or P{4>) for d = 3. We then have a situation of the potential like that described in the context **T. (d) For d = 4: This is possible only if the sign of V is reversed — this is exemplified by a so-called pure gauge theory with so-called instanton solution (which we shall encounter in a simpler context later). (22. We can therefore use our understanding of the BCS theory in interpreting the Ginzburg-Landau theory. The Ginzburg-Landau theory assumes that the static energy density is then given by £W0 = ^ W ( x ) | 2 + 7 + \aMx)\2 + \m*)t- (22-91) The parameter (22. Landau [111]. One can thus define a scalar field or wave function ty(x. Miiller-Kirsten [268].570 CHAPTER 22. (e) For d > 5: In this case it is not possible to stabilize Eq. (22.89). Skyrme [253]. is temperature dependent and changes sign at the critical temperature Tc.89). time-independent) field configurations is equivalent to the Ginzburg-Landau theory of superconductivity. Thus such a contribution could counterbalance T{4>.89) the contribution (4 — d)T(4>). Tchrakian and H. . 22. R.8 Ginzburg—Landau Vortices We have already referred to the Nielsen-Olesen theory. Ginzburg and L. Equilibrium states of the superconductor are assumed to be described by the time-independent static wave functions ip(x). L.

e. but for T < Tc it has a double well shape.22.94) the solution is (in the domain 0 < x < 00) i>{x) = ^/^tanh(^x\ . is a measure of the distance from the surface of the superconductor to where . which we recognize as one half of the kink solution we obtained previously as the topological instanton solution of the Schrodinger equation with double well potential (in the present case ip(x) = 0 for x < 0.8 Ginzburg-Landau Vortices 571 of the complex Higgs model (cf.2): For T > Tc the overall potential has a single well (minimum). from x < 0) means — as is familiar from electrodynamics — replacing V by V .94) to check the dimension) 1 = I—a. 22.2) £(^. i. (22. Clearly the length (see Eq.A) = i|B| 2 + i iXQ + 7 + ^ H 2 + |/^|4. leads in a one-dimensional case (considering this briefly) to the equation ^ | = aV + /?^ 3 axz Imposing the boundary conditions (in the domain 0 < x < 00) ^(0) = 0. i.^ A n (this is called "minimal coupling of the electromagnetic field^ with vector potential A to the Cooper pair field ip in a nonrelativistic treatment) where g — 2e~ is the charge of the Cooper pair. ^(00) = -a (22.e. The parameter 7 serves to put the minima of the double well at V = 0. Sec.(tp) = 0. Example 22. assuming there is no superconducting material in this domain). Returning to the three dimensional case and switching on a magnetic field (applied from outside of the superconducting material. Then the static energy density becomes (cf. (22.93) J' (22.95) This expression can be shown to be equivalent to the integrand in the Nielsen-Olesen theory. Variation as before. setting S£.

as indicated in Fig. i. (22. (22.96) ipH.9. V x M = j s . We can see this as follows. 450. inside the superconductor it falls off exponentially away from the surface (this is the Meissner-Ochsenfeld effect generally described as the expulsion of lines of force from the superconductor below the critical temperature T c ).g. 2mi Setting < / > \P\e vp B = V-i|A. W. . H. The density of the Cooper or super current is given by the typical expression of a current. Miiller-Kirsten [215]. 22. The magnetic field on the other hand.M. exhibits a completely different behaviour — in fact.e.e.572 no superconductor CHAPTER 22. In the Maxwell equation See e. i. J.97) we can rewrite j s as m \ h In macroscopic electrodynamics the magnetic field strength H is (in SI units) defined by H := — B .9 Behaviour of ip and B in the superconductor. Classical Field Configurations superconductor (x>0) Fig.98) where M is the magnetization resulting from atomic currents. the order parameter \ip\ attains (approximately) its asymptotic value. 22. p. yJ—a/[3. i.e. h [^DV'-V'DV]. (22.

There are two types of superconductors. This is zero in the present case. i. Superconductors of type II are characterized by the fact that when the magnetic field is again increased and beyond a first critical value. m Here A^ is known as the (London) penetration depth (or length) (in practice this is of the order of 1 0 .100) we obtain 2 m ( 0\ The ratio XL/XQ is called the Ginzburg-Landau parameter. Using the relation "curl curl = grad div . and V x (V x B) = / J 0 V x j s .8 Ginzburg-Landau Vortices 573 the quantity j is the density of a current applied from outside. In the one-dimensional case we have B{x) = B(0)e-x/XL.L B = O. (22.5 to 10~6 cm). this becomes A B = -no V x j 5 . Also dD/dt = 0 in a static situation like the one here. K i ™*.22. These vortices therefore carry magnetic flux which is necessarily quantized .div grad" and V • B = 0.. More and more vortices are formed as the magnetic field is increased further and further until only small superconducting domains remain which then disappear completely beyond a second critical value of the magnetic field. Approximating p by its equilibrium value. the normal state of the metal begins to re-appear in thin vortices and not uniformly thoughout the metal as in the case of superconductors of type I. V x B = [i0V x M = /lois.e. m xi A B .e.99) Inserting (22.M i.97) this becomes (since curl grad = 0) AB = Mo—Vx m A = /x 0 —B. (22. Hence 0 = V x H = V x ( — B . those of the so-called type I and those of type II.

G. In the Nielsen-Olesen model defined in Example 22. by the element exp[i%(0)] of the internal group A(s) = e * W : SI-+SI. 'See the remark in H.101) (p(r. in fact a periodic function of the polar angle with period 27r. of two points on a line. The existence of these vortices has been confirmed experimentally. the space consists of two diametrically opposite points on the circle.9 Introduction to Homotopy Classes In this section we consider topological properties of classical finite energy configurations and introduce the concept of homotopy classes. (22.102) In the one-dimensional soliton case of Eqs.e. *A. in other words. 22. A. i. Thus the asymptotic field </>(r.e. In the two models of Example 22. |x|—>oo Thus at spatial infinity |</»| has the value of a zero of the potential. The existence of these vortices with quantized magnetic flux was predicted by Abrikosov* and are therefore frequently referred to as Abrikosov vortices (the idea was originally rejected by Landau).574 CHAPTER 22.9) ^e^ '>\<poo\. Finiteness of E requires \<t>\ = \<fioo\ on this circle.37). Abrikosov [2]. (22. Classical Field Configurations (see below).2 we saw that finiteness of P(V) puts no restriction on the phase of (f> so that r e (22. Schaposnik [69] after their equation (3. i. De Gennes [67]. where exp(ix(0)) is an arbitrary phase factor. A. (22. we must have that lim V ( H ) = 0. In all the models we considered so far we observed that the energy E contains a contribution P(V) = j ' afxVM). 6')|r_>00 represents a mapping from the circle at spatial infinity to the circle defined by x(#) (or.36). If the energy E is to be finite — a basic requirement for the field configurations of interest to us — this integral must also be finite. . de Vega and F..2 — identified as above with the Ginzburg-Landau theory — type II superconductivity occurs^ for A > 1/4 and type I superconductivity with the complete Meissner-Ochsenfeld effect for A < 1/4. We can think of (e.9). J. See also P.g) two-dimensional space as being bounded by a circle at r = oo.

The two theories we considered above in Example 22. The 1-sphere is the unit circle in the space of all complex numbers.* We can think of this as a fixed line in space which is provided at each point with an infinitesimal direction element that is free to rotate in the plane perpendicular to the line (like the set of pendulums considered in Example 22. abelian (i. 22. Then a continuous function of (j> on [0. States of the strip corresponding to winding numbers 0 and 1 are illustrated in Fig. 0 < 0 < 2TT. (22.e. We may define this as « = ^[X(0 = 2 T T ) . Naturally an integer cannot change continuously. defines the orientation of this line element. X is called the domain of / and y its range.10. The map satisfying X(x + y) = \{x)\{y) is said to be a homomorphism.X ( 0 = O)]. Fig. We can illustrate the simple low-dimensional example under discussion by reference to a strip with Mobius structure. topological group with the usual multiplication as group operation. The map A : S1 -> S1 defined on S1 C R2 by (22. commutative). . 2-n] remains continuous if the function assumes the same value at the two endpoints. In mathematical language S1 is therefore a compact. Finkelstein and C.9 Introduction to Homotopy Classes 575 By a map or mapping / : X —> Y of a space X into a space y we mean a single-valued continuous function from X to 1".118)). i. (22.102) is called the exponential map of S1 onto S1.103) Later we demonstrate that this winding number n remains unchanged under continuous deformations (those of Eq. Misner [96].1.e. Sl := {zeC\\z\ = 1}. Suppose <j>. Thus smooth deformations *See D.1).2 imply that such a map from a circle to a circle is associated with an integer which we called the winding number n.10 States of winding number 0. W. 22.22.

A field configuration with n ^ 0 therefore cannot be deformed continuously into one with winding number zero. The gauge field required in the asymptotic limit (22. finite. connectivity.) remain the same under homeomorphic transformations and are therefore called topological invariants.104) so that d2x hJ Since A has direction e#..e. For that reason n is called a "topological invariant?. We observe that since time evolution is continuous. if it has one twist as above or a hole. r^oo 1 dx(9) n r o0 (22... since otherwise the energy integral would behave like f d x f dr dr 2 J r J r lnr. (22.105) the corrections falling off faster than 1/r.g. no hole. one hole. In other . Thus two homeomorphic spaces have equivalent topological structures. the winding number must be a constant of the motion. it cannot be deformed continuously into the so-called "classical vacuum" (the latter is a constant configuration in our soliton example). The continuous deformation or distortion of a set of points does not alter the topological structure of the set (e.105) is described as "pure gauge" since it is determined entirely by the phase x(#).i'ldx(0) 9A Thus for (22. The winding numbers n are such topological invariants. i. we required that lim r—>oo w o. In our consideration of the Nielsen-Olesen theory we also required the gauge field A^ to behave such that the energy is finite.g. it retains this twist or hole under the continuous distortion) and is described as a homeomorphism.104) to be finite we must demand that g . Homeomorphism subdivides the possible spaces into disjoint equivalence classes (to be explained below). we can write 1 d h J ee rde w At h r^oo . The different kinds of connectivity of these topological spaces (e.e. i.576 CHAPTER 22.e. Classical Field Configurations of the fields which preserve the fmiteness of the energy must preserve the winding number n. i. elements in the same class have the same topological characteristic.

9 Introduction to Homotopy Classes words.22. In terms of the phase factor \{x) = eixi-e\ we can rewrite the relation (22. Then we can construct a one-parameter family of maps or transformations which transform </>n (0) continuously into (j>h (6). for B / 0 . gauge transformation of a static abelian field is A -> A' = A + Vx- 577 and we know that the The field which is determined entirely by V x is therefore termed "pure gauge". the number of flux quanta 2irh/g being the winding number n. (22. Ffiu. However. the higher order contributions in (22.110) .e.109) A W(0) = e^ W. i. if A = V x . (22. cannot be deformed continuously into one with two loops (n = 2).e. we have B = V x A = curlgradx = 0. Of course. 9){^ and hence the functions (22. It follows that the field Fij. i.107) The fields <f>(r. i. going once around S^. we can go n times around S^.108) map the spatial circle S^. A field configuration with one loop (or twist). However. cannot be pure gauge everywhere. the group space of (the phase transformations of) U(l) continuously.<b rd9—4^ = n. Suppose two such configurations are given by O) W(9) = ei&)V\ n fixed. the vector potential A. into S i .105) as «A(I)--'AWV*<I> \(x) = J*V\ ( =• VxW)) (22. the gauge field. we can consider transformations which describe continuous transformations of a configuration with fixed n.l]. it is determined by a gradient (l/r)d/dd. with n = 1.106) J g j r d d g Thus the magnetic flux is quantized.105) insure that B ^ O . (22. is also zero at r = oo. Therefore. We can calculate the magnetic flux $ through the region with $ = * rd9A0 = . An example is the mapping H(t.9):=t(f>£\9) + (l-t)(f)W(9) with te[0.e.

3: Homotopy an equivalence relation Verify that the homotopy map H(t.e. Since the passage of time is continuous. we have to show that the map satisfies the three properties of (a) identity. the phase factors of (f)(9). n.e. We can consider (22. time cannot make a field jump from one homotopy class (see below) to another. to the internal group space of £7(1). In fact. i.112) are homotopic iff there exists a homotopy connecting (fin (9) and (fin (9). Classical Field Configurations which is continuous in the parameter t and is such that H(0. The relation (22. (22. Reuter [77]. Example 22.8) itself must be a configuration with definite winding number.9) = <fiW(9) and H(l. 8) = cfinl\9).111) In principle an expression like (22.e.111) as a map from the space described by 9. i. e. n' ^ n. like <pn (0). Still on the level of a mathematical text is (in spite of its title) the Argonne National Laboratory Report of G. H. Two curves which can be related to each other in this way. t The homotopy relates a representative function or curve (fin ' (0) to another function or curve 4>n' (9) by giving a precise meaning to the idea that the one can be deformed continuously into the other. (b) symmetry and (c) transitivity. Hu [134].g.e.-T.lQSl^S^ with H(0. i. Dittrich and M.9) is called a homotopy (emphasis on the second syllable). 9) is an equivalence relation. H(1.112) is an equivalence relation — and as such it is defined by the three properties of (a) identity. it is clear that this is also a homotopy. A brief introduction can be found in the very readable book of W.110) could be written down for configurations with different winding numbers. H-.9) = ^°\0).0) = $\6). i. (22.113) . — S\ > (22. We verify these in the following example. Solution: As stated. (b) symmetry and (c) transitivity. and the space of t. f T h e standard texts on homotopy theory are N.1]. i. these two maps (fin from S^. A superposition of classical configurations with different winding numbers does not minimize the energy. are said to be homotopic (emphasis on the third syllable) to each other and one writes ^(0)^^(9). (fin (9) in the above example. Thomas [270]. the unit interval I = [0.e. But this type of combination is excluded sind H(t. The map H(t. S%. Steenrod [261] and S. Thus by varying t from 0 to 1 we deform (fin (9) continuously into (fin '(8).578 CHAPTER 22.

is such that H(0. ' . Then there exist homotopies Hi and Hi connecting <j>(0> with (j>W and t^ 1 ' with </>(2) respectively.22. these groups are then called homotopy groups (cf. 0) = ^ (0) and 6(1. which therefore demonstrates that the homotopy relationship is transitive. i. a class being a set of equivalent maps. then </>W ~ <t>{0)• We define an H(t. i? is a homotopy connecting </>(°) with <^>(2'. 0) = 4>W (0). (c) We can demonstrate the property of transitivity as follows. On the other hand H(0. Then H(t.9) = . 9) := H(l . (b) Next we check that if 0<°) ~ <p^. negative or zero). In the above case of 7ri[[/(l)] we know from our earlier considerations that every equivalence class is characterized by a specific value of the winding number.e.e. Homotopy classes are sometimes also called Chern—Pontryagin classes. (22 1U) At *=2!: But ^ ( ^ ) = ^ i ( M ) = #2(0. We now define the function H ( f 0 ff . Hence <f>(0^ ~ <p 2 ). so that H(t. Two elements of 7ri [f7(l)] which belong to different classes are homotopically inequivalent. In some cases the set of homotopy classes possesses group structure (satisfying the group properties). we see that of the set of these maps some are equivalent and others are not. <f>W . 9) = <f>W (0). 9) connects <pn (0) with itself continuously.9) = <f>(0\6) and H(l. Returning to the maps \(x) : Si -^ S1^ (i. is isomorphic to) the set of integers Z (positive. \ M)-\ H!(2t. since and tf (1.e) tf2(2i-l. 0).ffi(O. Hence the set of all such maps breaks up into equivalence classes or homotopy classes. as they are called. 0) = <£{2). .e. at t = 1/2 both i?i and H 2 give c/^1'.10 The Fundamental Homotopy Group 579 (a) Evidently the homotopy H(t. i<t<l. 9) = H(0.* 22.10 The Fundamental Homotopy Group The set of disjoint equivalence classes in the case considered previously is denoted by the symbol Here the subscript indicates the dimensionality of the one-dimensional sphere S1. <^(2). 0) = tf2(l. . U(l)). Moreover.0) = </>(0) is continuous there. 9) = H(l. Thus 7Ti[C/(l)] = vrifS'1] corresponds to (i. Assume <p( ' ~ (j> and <p( ' ~ <> ' /( for continuous maps <^(0'. 0). below).0) for for 0<t<|. being the continuous map connecting </>(°) with <j>(-1'>.0). so that H is a homotopy connecting <jy-l>{0) with <f>^>(9).9) H(0.t.

22. Appropriate maps. which is to be mapped into another circle Si indicated by dashed lines.11 The trivial n = 0 map allowing shrinkage to a point.1] continuously to 0 one regains xo(#) = 0(b) In the cases n = 1 and n = 2 we have Xi(0) = 9 and xi(0) = 2e for al1 e - Similar considerations are given in the wellknown book of R. 52. T < 9 < 2TT. . n=0: t=1: t=1/2: i. but TTI[S2] = 0: S 1 is a circle. How can we see this? We first sketch the idea. Rajaraman [235]. In order to really appreciate how topology comes into the picture here one should understand (e. T (22. Classical Field Configurations Thus there is a denumerable infinity of such homotopic classes or sectors.g. characterized by winding numbers n are for instance (Xn(#) being a continuous function modulo 27r): (a) For n = 0: Xo(0) = 0 for all 9. Fig. In the diagrams^ of Fig.115) Varying t € [0. This trivial map into a single point is described as a "degenerate map" and is illustrated in Fig.) why 7i"i[S2] = 0. S 2 the surface of a sphere in a three-dimensional Euclidean space. 22.e. to make the result plausible. and then introduce some of the related mathematics.580 CHAPTER 22.11 the circle drawn with the continuous line is the circle S%. Sketch of idea demonstrating that nilS1] = Z. p. 22.11 for the special values of t = 1 and t = 1/2 with Xo(0) = to t(2vr -9) for for 0 < 9 < 7T.

.e. and hence the winding number. The maps for these cases are illustrated in Fig. phase factor or element of U(l)): A(x) : Xn(x) = em*W = [Xl(x)]n. the transformations^ (the result may be looked at as 8n of expression (22. is invariant under infinitesimal (continuous) deformations. It is seen t h a t in these cases the continuous curve can be distorted into t h a t of case (a) only by cutting the dashed circle — thus these cases do not allow a continuous shrinkage to a point.I** dOJn*W±e {8) X 2vr J0 — / 2Wo dO(-iri) dO \ d6 l. of (22.h. For winding number n we have the mapping (i. Coleman [55]. 22.116) In fact from this we obtain (see below) 2 - n and this means r.h.103)) A(x) -> \'{x) where 5f(x) = \{x) + i\(x)5f(x) = A(x) + 6\(x).117).117) -in ±.117) 2^ d6X(x)-\-1(x).118) is an infinitesimal (continuous) real function on the circle with (5f)o=o = (Sf)0=2n- 1 See S. (22. 2 the maps are wound around the dashed circle.22.e. d (22. 0 < X(P) < 2vr.10 The Fundamental Homotopy Group 581 n=l: cutting of dashed circle n=2: Fig. We make another observation at this point. to the case of winding number zero.s. i. In the cases n = 1. (22.12. One can prove that the expression (22.12 The n = 1 and n = 2 maps not allowing shrinkage to a point.e.s. i. 22.

1 1 See N. an integer modulo 2) i.8. Classical Field Configurations Under this transformation n changes by 5n Now. the identity class (the group space S2 is simply connected. il**( ^')- r-2-Tr A ( 21 9 2 1) ' de\x2 -*|(«/W). the cyclic group with two elements (since 50(3) is doubly connected). Considering iri(S2) we recall that this symbol represents the set of disjoint equivalence classes into which the maps A (re) from S1 to S2 (circle to sphere) can be subdivided. It is intuitively clear that any circle drawn on the surface of a sphere can be shrunk to a point. . In fact.e. Thus there is only the trivial map into a point.e. there is a theorem which says thatH TTg(Sn) = 0 for q < n. Steenrod [261]. whereas 7ri(50(3)) = Z2 (i.582 CHAPTER 22. Hence i /"27r ^ i Thus we have shown explicitly that the winding number remains unchanged under continuous deformations. One can show that the group space of SU(2) which is the sphere 5 3 C R4 is simply connected and that therefore TTI(S3 = 517(2)) = 0. 15.e. only one homotopy class. which means that a curve connecting any two points of S2 can be continuously deformed into every other curve connecting the two points) and one writes 7T1(S2)=0. Sec. i.

We consider such a theory now with action S((p) depending on the real scalar field 583 .2 Instantons and Anti-Instantons A one-dimensional field theory is a quantum mechanical problem. In each of the cases considered we obtained the result by solving the appropriate Schrodinger equation. Since we have not yet introduced periodic (i.1 Introductory Remarks In Chapter 18 we considered anharmonic oscillators and calculated their eigenenergies. different from literature. An analogous procedure will be adopted in Chapter 24 in the use of the (nontopological) bounce configuration for the calculation of the imaginary part of the ground state energy of a particle trapped in the inverted double well potential.e. This is an important standard example of the path integral method which serves as a prototype for numerous other applications and hence will be treated in detail and. 23. in such a way that the factors appearing in the result are exhibited in a transparent way. In the following we employ the path integral in order to derive the same result for the ground state splitting (only that in this chapter!). Together with the infinite Euclidean time limit this requires for the calculation of the tunneling contribution to the ground state energy the Faddeev-Popov method for the elimination of the zero mode. our treatment in this chapter is restricted to the consideration of the asymptotically degenerate ground state of the double well potential which is based on the use of the topological instanton configuration.Chapter 23 P a t h Integrals and Instantons 23. and in particular the exponentially small level splittings of the double well potential. finite Euclidean time) classical configurations (which are nontopological).

(23. The Hamiltonian of the simple harmonic oscillator (cf.584 <)>{t). note that here the mass of the equivalent classical particle is taken to be mo = 1.2. ! " ^ j = ^ 2 . 2 2 4 ™ = ~.v{4>) <?VV m4 __ 1 .* /•tf CHAPTER 23. Path Integrals and Instantons S(<f>) / dt \i>2 .1. 23.2) Fig. Gildener and A. n = 0. i. 2mo has as the normalized ground state wave function </>o(?) = <<?|0) Thus for mo = 1 we have in our notation here a. Patrascioiu [110] and Chapter 18.1 — degenerate minima (positions of classical stability or "perturbation theory vacua") at positions 4>{t) = ±m = ± 0 O .e. Chapter 6) 1 2 . and ^2(0) : m* .m ^ + §^24 ' ^2 > a (23-J) The potential V(</>) has — cf. 23. in particular E. Fig. (23.1)) and hence E0 = mh/y/2.1 The double well'potential. "For comparison with literature.2 = 2m 2 (here m is the parameter in the potential V{4>) of Eq.

23. as we did in Chapter 18 — but as we saw. and so the question is: What sort of boundary conditions do we have to impose on the wave function other than its exponential fall-off at 4> — ±oo? We can decide this if we observe that S = J dtL is invariant • under the exchanges 4> ~ * ±</>._(0) = 0. i. We can develop a perturbation theory around either of the minima. The states of the system here must be even or odd under x — ±x. </. W(0) = 0.23. These boundary conditions imply nonperturbative contributions to the eigenvalues which yield the splitting of the asymptotically degenerate oscillator . The corresponding wave functions ip±(x) then must be peaked at the extrema of stability — as in the examples illustrated in Fig.g.e. We know from the shape of the potential that the quantum mechanical energy spectrum is entirely discrete (no scattering).In mechanics of a particle of mass 1 with ~ position coordinate x(t). and in the above 4> corresponds to x. Fig.x) = -x2 -V(x). must have definite parity as in a physical > situation. we have the Lagrangian L(x.2 The wave functions of the lowest states. this alone does not yield the level splitting. This tunneling affects the eigenvalues. 23.2 — and we can deduce from this the boundary conditions. but there is tunneling between the two minima if the central hump is not infinitely high.2 Instantons and Anti-Instantons 585 Classically the position <f> = 0 is a point of instability. e.

7) resembles a Newton equation of motion with reversed sign of the potential as a result of our passage to Euclidean time. dLE = 0.£'(0) = 0.e. (23. d(f> d ' dr2 dr It follows that the equation of motion is now given by 55. is finite if we go to imaginary. i.0o.7) is to be solved for 0 with the boundary conditions m 0(r) = — for Tf — oo and 0(r) = > m for n -oo. i.5) and iS = dLE d dr[d(d(f)/dT)} i. that given by Eq.£j — —oo (we assume the normalization factor or metric to > > be handled as explained in Chapter 21).3) for tf — oo. (23.6) d*l dr 2 . Path Integrals and Instantons approximations into an even ground state and an odd first excited state.7) so that (23.4) J <bi =—(An rTf (ITLE = I JT.tf\ .e. (23.2 V'(<l>) = . We are therefore interested in the amplitude — called Feynman amplitude or kernel as we learned in Chapter 21 — (</>o. i. The transition amplitude for this. -SE.586 CHAPTER 23.3).9) .8) V(4>) + const.e. For small h we can attempt a stationary phase method.2 m 2 ( l m z (23. (23. A classical particle starting from rest (0 = 0) at —m/g cannot overcome the central hump and move to +m/g.2.e. classically forbidden domains then become "classically" accessible.7. n) = f with the Euclidean action rTf SE(<i>) = / J TV f V{<f>}exp[-SE(<P)/h} (23. | . In the semiclassical path integral procedure that we want to use here. But quantum mechanically it can tunnel through the hump from one well to the other. Then (0o.U) = J'D{<f>}exp[iS(<l>)/h] (23. Equation (23. we consider the amplitude for transitions between the vacua or minima at 0/^ — ±</>0 = ±rn/g over a large period of time. Euclidean time T = it. dr m+™ (23. r .<h. dr We observe that Eq.

23. In the present context of Euclidean time the configuration (f)c is generally described as an "instanton". Thus we know the solution from there which is the kink solution (22. and having just enough energy to reach the other extremum at 4>f = m/g where it will again be at rest. Fig. in the present case -(T — To) = m tanh m(r — TO). the classical path.3.2 Instantons and Anti-Instantons 587 In fact. is depicted in Fig. and hence kinetic energy gained is equal to potential energy lost.3 The instanton path. The solution (J>C(T) can also be looked at as describing the motion of a Newtonian particle of mass 1 in the potential —V (</>)• This is a very useful description.e. time-independent) in the 1 + 1 dimensional <J>4-theory which we considered previously. this means the total energy of the particle in Euclidean motion is zero. Its trajectory. from fa — —rn/g. we see that the equation is the same as the classical equation for a static soliton (i. Thus we can picture the particle as starting from rest at one minimum of V(</>) or maximum of —V(<p).e.10) where TO is an integration constant.e. 23. i. 23. — (23.18). If the constant arising in the integration of the Newton-like equation is chosen to be zero (see below). i. .

we obtain lim f+ OO.11) For this quantity to be finite for TJ = —oo. Also note that we can re-express SE in the form 2 SE f0 c (oo) T J-oo \ dr j J0 C (- where ^iw = .10) and is called the antikink or anti-instanton configuration and obviously (following the arguments of Chapter 22) carries topological charge — 1. The classical equation (23.^ .14) But this is not yet enough. The configuration (23. (23. This anti-instanton configuration rises monotonically from right to left as shown in Fig.7"/! ).8) we obtain T f- SE dr[2V((j)c) + const.588 CHAPTER 23. 23.12) dimr) cosh m(T — TO) m tanh x tanh x 00 _ 4m*_ (23.4).13) into Eq. the constant must be zero.* With this choice and inserting mo = j dr J = m we obtain* SE = m T lm4 2 g2 cosh4 m{r .r 0 ) ' (23.13) We observe that this expression is identical with the energy of the static soliton of the 1 + 1 dimensional soliton theory which we considered in Chapter 22.Tj) oc exp 4 m3 m^2 (23.13). thus indicating the nonperturbative nature of the expression. Using Eq.7) admits another configuration which is the negative of (23. (23. For a nonzero constant we obtain the periodic instantons discussed in Chapters 25 and 26. Tf = oo.5). but with the same Euclidean action (23.' . We also observe that the expression is singular for g2 —> 0.10) is given by (23. (23. We also need to know how we can calculate the difference AE of the energies of the two lowest levels from this expression. Inserting the result (23.10) which rises monotonically from left to right is the pseudoparticle configuration called kink in the context of soliton theory and instanton in one-dimensional field theory or quantum mechanics with topological charge 1 and Euclidean action given by (23.TJ- T fro.13). 'Note that this integral may be evaluated for finite limits r = ± T and presents no problem in the limit T oo.].4. Path Integrals and Instantons The Euclidean action of the instanton solution (23.

what is its associated topological charge? W h a t is its Euclidean action? The sum of 4>c and (j)c = —4>c defined by (23. in the case of (23.g.10) we can ask ourselves: Does it make sense to consider the sum of an instanton localized at TQ as indicated in Fig. #(r) = </>C(T .23. 23. (23.15b) a solution of the classical equation? Is it a topological configuration — if so.Writing ••• + L ••• and performing the variation in the usual way with 5<j) = 0 at r = ± 0 0 . b u t if TQ.2 Instantons and Anti-Instantons •<l> 589 ^ ^ ^ 0 ^ ^ ^ _ _ ^ Fig. e. Both configurations comunicate between the two wells of the potential at < = —m/g and (ft = m/g.15a) we have a simple superposition.5.TO) + ^ c ( r .5. Clearly we are here interested in configurations of type (23.TO far apart and T'Q 3> TQ.15b) a mending together of an instanton and an anti-instanton at r = T\ with —oo = To < T\ < T2 — 00 for TQ.4 The anti-instanton.15b) is not exactly a solution.15a) or # ( r ) = 0(r-ro)^c(r-ro)0(ri-r)-e(T-Ti)^c(r-^)0(T2-r). 23. Questions which arise at this point are: Is the nonmonotonic configuration (23. so correspondingly one defines the instanton or kink with topological charge + 1 and the antiinstanton or antikink with topological charge — 1.TQ are very far apart their sum differs from an exact solution only by an exponentially small quantity. . 0c(r) = -&(T).r0). The terminology is motivated by analogy with the phenomenology of particles: Thus like a proton has electric charge + 1 (in units of the fundamental charge e) and the antiproton has electric charge —1.15b) has the shape shown in Fig. from the sketch or from the variation of SE. / > Looking at the instanton (23. (23. 23.15b) since we require configurations from vacuum to vacuum.g.15b) In the case of (23. The sum (23. and an anti-instanton localized at (say) TQ. as we can see e.

at oo the variation is <<> = 0). Thus it belongs to the so-called vacuum sector of solutions and its topological charge (determined by the boundary conditions at plus and minus infinity) is zero. vanishes as T\ —> ±oo (of course.16) .2 m ( T o . Path Integrals and Instantons '.r 0 ) At r = Ti the variation Sep is finite but nonzero so that we are left with an exponentially small contribution which.15a) can be argued to be zero.15a) is a configuration which starts from 4> = —i^/g and ends there. it also does not exactly stationarize the Euclidean action. T\] with LECIT = 0. 23. Finally.e x p { . g cosh m(r — TQ) (23. #(r) dr 1 1 m 9 cosh m(r — ro) cosh m{r — T'Q)_ cosh2 m(r — TQ m cosh2 m(r — TQ) g cosh m{r — ro) m 1 [1 . since (23. J —oo the classical equation is valid only up to a contribution dL E d(d<t>/dT) Ti oc <ty(Ti) coshr m(T~i .CHAPTER 23.15a) is not exactly a classical solution.T 0 ) } ] . m/g / o / o ^ 0 1 \ -c'\ o\ T2 ' ^^__ -m/g Fig. 5^ In order to answer the second question we observe that (23.5 Superposition of an instanton and a widely separated anti-instanton. of course. In fact. we see that in the domain [—oo. Ignoring exponentially small contributions the Euclidean action of the configuration (23.

23.2 Instantons

and

Anti-Instantons

591

and looking at Eq. (23.13) a n d ignoring exponentially small contributions, we obtain (note t h e same values of t h e limits)
<Koo)=(/>(-oo) SE dA

Jd> oo)

#A*T

For t h e configuration (23.15b) we have with a similar argument
f-Ti SE \J-oo roo JTx \ / /
rTi

( [ * • • • + [°° •••)LEdr=

( f
\J-oo

1

...-

f

i— Ti 1

...)LE
J

= 0.

J-oo

As a further example we consider a configuration consisting (approximately) of two widely separated instantons (or kinks) and one anti-instanton (or antikink) localized at TQ , TQ and TQ respectively, § # ( r ) = ^ T - T o ^ T - T f M T i - T )
-0(r - T I ) ^ ( T - r^VCTa - r)

+^(r-r2)^c(r-r(S3))0(T3-r) with - o o = T 0 < r^ 1} < 2 \ < r^ 2) < T 2 < r ^ < T 3 = oo.

(23.17a)

Fig. 23.6 Two widely separated instantons and one anti-instanton. Again t h e configuration is non-monotonic and as in t h e previous case one can show t h a t it is only approximately (with exponentially small deviations) a solution of the classical equation. In order t o answer t h e question concerning the associated topological charge of </>(3)(r) we recall t h a t this is determined by t h e boundary conditions of the configuration; thus in t h e present case t h e configuration belongs to t h e instanton or kink sector with topological charge
3
r (3) r

0

( E.g. in the overall range of r = 2T we can choose the locations TQ i ) : 2T/3.

2 T / 3 , T ^ 2 ) = 0 and

592

CHAPTER 23. Path Integrals and Instantons

+1 (like the single instanton or kink). Thus for each of the four charge sectors (corresponding to the two vacua and the kink and antikink sectors) we have a multitude of approximate solutions^ of the classical equation as illustrated in Fig. 23.7 in which (a) and (b) depict the two constant vacuum sectors and (b) and (c) the instanton and anti-instanton sectors respectively.
(a) (b) (c) (d)

Fig. 23.7 Classical solutions in their topological sectors. In evaluating later the Feynman amplitude about such configurations we use the completeness relation of states. Thus in the case of </>c (r) we write
oo poo

/
-oo

d<t>2 /
J —oo

d<j>1(<t>f,Tf\(j>2,T2){<l>2,T2\(f>l,Ti)(<l>l,T1\<l)i,Ti).

(23.17b) Evidently the evaluation of this amplitude requires two intermediate integrations.

23.3

T h e Level Difference

The nonrelativistic Schrodinger wave function ip of a discrete eigenvalue problem for a potential V satisfies a homogeneous integral equation which we can write ip(x',t')= dxK(x',t';x,t)tp(x,t), t' > t. (23.18) Here K(x',t';x,t) is a Green's function satisfying the differential equation DK(x', t'; x, t) = iS(x' - x)5(t' - t) with differential operator d Id
2

(23.19)

(23.20)

" B . Felsager [91], p. 143, therefore calls these solutions "quasi-stationary configurations". Further discussion may be found there.

23.3 The Level Difference

593

(One can convince oneself by differentiation that the integral equation is equivalent to a time-dependent Schrodinger equation). In Eq. (23.20) V0(x) = V(x) - SV(x), V = V0 + SV,

where 5V{x) is the deviation of the exact potential V from an approximation VQ. (Since we cannot — in general — solve a problem exactly, we have to resort to some approximation; thus we have to distinguish between the exact problem and the approximate problem which we can solve exactly; the Green's function is constructed from the eigenfunctions of the exactly solvable problem). The Green's function K(x', t'; x, t) can be expanded in terms of the eigenfunctions T/4 (x) of the Schrodinger equation for the potential VQ(X), i.e. (to be verified below)

K(x',t';x,t) =
We have (cf. Chapter 7)

^Y,f -

dE

'•i0)*(x')^0)(x)exp{-iE(tl-t)} E-E&0)

(23.21)

" 1 d2 - V0(x>) 2mo dxf2

^<?V) = - i « V )

so that DK(x',t';x,t)

•JL
dt1

V0(x') +

d2 2m 0 dx'2 E-E, dE 2^
(0)

^h(x/)^n0)(x)exV[-iE(t'-t)]
n
J

-iE(t'-t)

=

i6(x-x')5(t'

-t),

(23.22)

as claimed (note that the first delta function results from the completeness relation of the eigenfunctions of the exactly solvable problem). We can go one step further and integrate out the independence of Eq. (23.21). Replacing En in the denominator by (En —ie),e>0,so that the integrand of (23.21) has a simple pole at E = En —ie, and integrating along the contour shown in Fig. 23.8, Eq. (23.21) becomes (with the help of Cauchy's residue theorem) H K(x', t';x,t) = Y, Tp{n}* (x')^n0) (x) exp[-i£4°) (*' - t)}9(t' - t).
"This formula is discussed, for instance, in R. J. Crewther, D. Olive and S. Sciuto [60].

(23.23)

594

CHAPTER 23. Path Integrals and Instantons

This is our earlier expression (7.9).

Im E t - t>0
-ReE

Fig. 23.8 Integration contour. We now recall from Eqs. (21.10), (21.17), that the Green's function K can be written as a path integral, i.e. that K(xf, tf;xi,U) = J cD{x}eiS/H{tf - ti). (23.24)

Evidently we want to relate Eq. (23.23) to Eq. (23.24) in the case of our one-dimensional $ 4 -theory. In the derivation of Eq. (23.23) we distinguished between the exact problem with potential V and an approximate problem with potential VQ which can be solved exactly. In an actual application such a subdivision can be a matter of convenience. Thus we could try to approximate V by taking as VQ the harmonic oscillator part of the potential and 5V oc <5 4 then the set {T/4 } would be the set of oscillator eigenfunctions ?>; which is wellknown. Alternatively, we could be interested in a completely different problem, e.g. one with Vo given by Eq. (23.1) and 8V oc <^6. In this case ipn would be the exact eigenfunctions of the Hamiltonian for the (/>4-potential (23.1). It is shown for instance in scattering theory that the exact transition amplitude is characterized by poles at the exact eigenvalues (e.g. in the case of the hydrogen atom all discrete eigenvalues are simple poles of the scattering amplitude). Thus if we want to relate (23.24) to the path integral representation of the transition amplitude for the (/)4-potential (23.1), we must take in (23.24) the exact (real) eigenfunctions ipn{x) and eigenvalues En for the potential (23.1) which, of course, we do not know. We proceed as follows. From the above equations we obtain K(fi,t';4>,t) = Y,M<i>')Tpn(<t>)eM-iEn(t-t')/h}
n

= f %>{<!>} exp[iS/h].
•*

(23.25)

23.3 The Level Difference

595

This equivalence of the standard decomposition as a sum on the one hand, and on the other hand with the Feynman integral on the right is the reason for describing the Feynman amplitude also as kernel. We now consider the left hand side of this expression for Euclidean time r = it. Since r' > r, the expression is dominated by the lowest and next to lowest eigenvalues E+,E- associated with the ground and first excited state wave functions ip+(<fi) (even) and i/j-(<fi) (odd) respectively. Thus the left hand side can then be approximated by (with h = 1)
K(<//,T';0,T)

~

^+(cf>')^+(4>)eM-E+(T'-T)} +^_(0')^-(<£) exp[-E-(r' - r)].
(23.26)

We are interested in the transition with oo and Moreover, V>+W>o) = V+(-<fo), so that K(<f>',T';4>,r) ~ {^ + (</>o)} 2 exp[-E + (T'-T)] -{</>_(0o)} 2 exp[-£_(T'-T)]. We define AE, E0 by** AE == E--E+ so that E+ = E0Then
K{<J)Q,T'\-<J)Q,T) -<t>Q-

(23.27)

^-(0o) = - ^ - ( - 0 o ) ,

(23.28)

(23.29)

(level splitting),

E 0 = - ( E + + E_),

(23.30)

-AE,

E_ = E0 + -AE.

(23.31)

~

{V'+(0o)}2exp

- ^ - l A ^ ( r ' - r ) (r' - r . (23.32)

-{V>-(<fo)}2exp

- \E0 + -AE\

Here the wave functions at the minimum position (fro are comparable to (i.e. approximately given by) the corresponding ground state eigenf unctions of the harmonic oscillator and so (apart from overall normalization) (cf. Chapter 6) tp±{4>) oc < exp 1

(<£ + <

±exp

-{<!>-<t>o?

= ±ip±{-<f>) (23.33)

**Here AJE denotes the splitting of the originally degenerate oscillator level. This is therefore twice the deviation of a split level from the originally degenerate oscillator level.

596

CHAPTER 23. Path Integrals and Instantons

with E0 = mh/y/2 ( as we noted at the beginning of this chapter). Hence we can set 1 ± e _2 *° V#o)(23.34) l^±(0o)l = e-2*§ ± I Then
K{(J)Q,T'\-(J)Q,T)

« =

{V(^o)}2exp[-JE;o(r'-r)]|eA^'-)/2-e-AE(^)/2| 2{V(^o)}2exp[-JB0(r,-r)/^]sinh|^:AJB(T,-r)|, (23.35a)

where we re-inserted h for dimensional completeness (observe that when AE(T' — T) = AEAT ~ h and small, the hyperbolic sine may be approximated by its argument and one returns to (23.25) for Euclidean time). The relation (23.35a) assumes fixed endpoints 4>o, i.e.

d<j>" j #'(V|</>X</>" V

foMW.rW

+ 0o)<^'|^>
(23.35b)

= <^|0o) (</>0,r'| - 0o, r) (cp0\ip).
v '

Clearly without the delta functions the end points are not fixed. (This situation will be required in Chapter 26 in the case of certain bounce configurations). We now want to deduce the explicit expression obtained with the path integral formula and then extract AE by comparison. In this comparison we require r' — r to be a large Euclidean time interval (—T, T) with T — oo. It is clear from Eq. (23.35a) that we cannot put T = co rightaway; > thus we also require the study of a gentle approach of T to infinity, which necessarily makes the calculation more involved. We also note that since the above expression assumes quantization (discrete eigenvalues), the comparable formula must also involve quantization. Thus we must go beyond the purely classical contribution, i.e. we have to consider field fluctuations about the classical configuration.

23.4
23.4.1

Field Fluctuations
The fluctuation equation

We consider fluctuations n(r) about the instanton (or correspondingly static kink) configuration (pc: </>(T) = MT) + V(T). (23.36)

23.4 Field Fluctuations

597

Of course, the level splitting AE (to be extracted later) must be based on a symmetric treatment of instanton and anti-instanton. Allowing for fluctuations which are not tangential to the path one necessarily introduces more degrees of freedom — in much the same way as in allowing relative motion together with collective motion. Thus the consideration of fluctuations leads to the consideration of a larger (in fact infinite) number of degrees of freedom, i.e. to the continuum. We naturally impose on the fluctuations the boundary conditions 77(T = ± T ) | T - O O = 0. (23.37) Clearly we have to expand the action into (23.5) we obtain
SE((J))

about

4>C{T).

Inserting (23.36)

««- />[(K
(ITLE = /

i(g+ £) + m + „ /«-/>[K* + £,
dr
-oo

1 / d0c \ ~ m"* 2 2 V dr J ' 2g
2

m

2J,2

1 2J,4 -re+2*

+

WlA{t) -*»-**-w+tf*
(23.38)

,2J2 J +Sg*<%rjz + 2<?2</>cr?3 + - 5 2 T ? 4

Here the first pair of curly brackets {• • • } yields as before the contribution 4 m3
SE(<PC) = V~2

3?

(cf. Eq. (23.13)). In the second pair of curly brackets in Eq. (23.38) we use the identity

s:Am - MW.
dr where we used Eq. (23.37). Hence
—oo •2,

-oo

dr2
(23.39)

dr2

•V(j),

+r,2{^924>l ~ m2} + 2</V0C + -g2rf

(23.40)

598

CHAPTER 23. Path Integrals and Instantons

The term linear in 7 vanishes as a result of Eq. (23.7). Hence 7 SEW and SE(<j>) = = Here
oo

= SE(<l>c) + SSE(ri)

(23.41a)

JdrLE^c

+ v) + --(23.41b)

SE{ci>c)+l-JdTr]\T)L'E{4>)W

dr
/
-00

\ it) ^^ ~ ^
jvi^eMSE^/h]
T){<p} eM-SE(4>c)/h]

+

+2ffW+ .9W (23.42)

\

Hence, since the Jacobian from </>(T) to T?(T) of Eq. (23.36) is unity (with iS = —SE and subscript 1 in the following indicating that the single instanton case is considered),

-I

exp[-6SE(v)/fi] (23.43)

exp

4 m6 Jv{r)}exp[-8SE(ri)/h}, 3g^h,

where we used Eq. (23.13). We consider the approximation in which we restrict ourselves in Eq. (23.42) to terms quadratic in n. This approximation is called the Gaussian or '•'•one-loop''' approximation.* Then
oo r 1 / j„ \ 2

dT
/ -oo oo
(23J.0) f 00

\{tr) +'W*S-»'>
2\dTj

dT

i/^y

2

+ rf m 2 {3tanh J m(T - r 0 ) - 1}
(23.44)

1

(7?, Mr?),

where M is an operator.t We set (observe that r acts only as a parameter which parametrizes the classical path; the dynamical — real time-dependent — quantity is £n) V(r) = ^2^nrjn(T),
71=0

(23.45)

"The word "loop" refers to internal integrations which this non-classical contribution requires. ^The factor 1/2 is extracted so that the fluctuation equation assumes the form (23.54b).

23.4 Field Fluctuations

599

where {r/ra(r)} is at every point r of the classical path a complete set of orthonormal eigenfunctions of M with eigenvalues {w^}: Mrtn(T) = wlrin(r), dTrjn{r)r]m{T) = p25nm.
(23.46)

Here we have in mind p 2 = 1. However, for ease of comparison with the literature* we drag the parameter p2 along. Then

(T?, Mr,) (2 = 5) E [°° dr(^Vn, M^Vm) = E l & l W -

(23.47)

Formally, if we insert (23.36) and (23.44) into h of (23.43), we obtain h = I 0 exp with 4 m3' (23.48a)

I0 = Jv{r,} exp
where

2^M??)

(23

^7%
fc=0

exp
n

(23.48b) D{77} = Urn FT dr](rk)

(23.49) (in our earlier discussion (cf. Sec. 21.6): 77(T^) — %, and r?(r) is given by • Eq. (23.45)). With v(Tk) = Y^nVniTk)
n

we have dr](rk) = E d CnVn(r k ),
n

(23.50)

and (the determinant being the Jacobian of this transformation) (23.51)
fc=0 fc=0

Hence I\ = exp 4 m3 3 ^

d

K^)/(n^) e -[4? le " 12 ^
•fc=0

(23.52a)
•"•Note that a different normalization of {rj n } as in E. Gildener and A. Patrascioiu [110] (they have in our notation p2 = h/fj,2,fj,2 = 2m2) introduces additional factors on the right hand side of Eq. (23.47) and hence changes some intermediate quantities.

600

CHAPTER 23. Path Integrals and Instantons

Now,
2 2 d^e -w P e/2
J

2TT

9 9'

(23.52b)

—c

so that the integral in Eq. (23.52a) can be evaluated formally to give I\ = exp 4 m3 3 ^

•*(%>) fl V C
d
k=Q

2TT

1/2

(23.52c)

provided no w^ is zero. We now show that this condition is not satisfied, i.e. we have one eigenvalue which is zero corresponding to the zero mode associated with the violation of translation invariance by the instanton configuration. This is the case if the zero mode, like all fluctuation modes, is normalized over the infinite time interval, not — however — if a finite interval of T from — T to T is considered, in which case the associated eigenvalue is nonzero (as will be shown below) and Eq. (23.52c) is well defined. Hence first of all we show that the differential operator M is the differential operator of the stability equation or small fluctuation equation. The operator M was defined by (23.44), i.e.
i r<x>

^{V,MV)

2

dr nMrj = \ drr/Mr]
-OO oo

\f-JTn
'dr]\

K£) + 7 ^ > (23.53) £ + ""<*•> V,
dr
J —(

where in the last step we performed a partial integration and used Eq. (23.37), i.e. n(dtoo) = 0:
dr]
°°

f°°

,

d2

From Eqs. (23.44) and (23.53) we obtain

M v"(4>c
= 6g2(f>c2 — 2m 2 = 6m 2 tanh 2 m(r — TQ) — 2m2 (23.54a) 4m 2 — 6m 2 sech 2 m(r — To).

Thus Eq. (23.46) becomes d2 1 (23.54b)

23.4 Field

Fluctuations

601

We have considered the spectrum {w^} and the eigenfunctions {r]n} of this equation previously; cf. Sec. 22.6. There we found t h a t the spectrum consists of two discrete states (one being the zero mode) and a continuum. In Eq. (23.45) we have to sum over all of these states. We also observed earlier t h a t the existence of the zero mode d4>c/dr follows by differentiation of the classical equation, i.e.

A.

dT2

dr'

:[V

(</>)], implying

dr2

V'itc

dr'

°'

Thus we know t h a t the set of eigenfunctions { ^ ( T ) } of M includes one eigenfunction T)Q{T) with eigenvalue zero. Before we can evaluate the integral (23.52a) we therefore have to find a way to circumvent this difficulty. First, however, we consider in Example 23.1 a gentle approach to t h e eigenvalue zero of the zero mode by demanding the eigenfunction ipo (r) to vanish not at r = oo but at a large Euclidean time T, as remarked earlier. § Some part of the evaluation of the p a t h integral will then be performed at a large but finite Euclidean time T, and it will be seen t h a t this large T dependence permits a clean passage to infinity. Example 23.1: Eigenvalues for finite range normalization
Derive the particular nonvanishing eigenvalue of the fluctuation equation which replaces the zero eigenvalue of the zero mode if the latter is required to vanish not at infinity but at a large but finite Euclidean time T. Solution: The operator of the small fluctuation equation is given by Eq. (23.54b). We change to the variable z = m{r — TO) and consider the following set of two eigenvalue problems: (a) Our ultimate consideration is concerned with the equation ( — j + 6sech 2 z - n 2 J ^0(2) = 0 with However, we consider now the related equation (b) ( —.r+6sech22-n2)ipo(z) V dzz J = -^-^(z) m2 with ^ n ( ± m T ) = 0, n 2 = 4 and Vo(±°°) = 0.

and our aim is to obtain ui 2 . We proceed as follows. The unnormalized solution of case (a) is (cf. Eq. (23.12)) dt/>c m 2 1 ipo[z) = —— = -=—, z = m(T -T0). orr g cosh z (Note that this is the zero mode which normalized to p 2 , i.e. / drr/^ = p 2 , is 770 = p(d(pc/dT)/^/SE, where SE is the action (23.13)). We multiply the equation of case (a) by i>o{z) and the equation of case (b) by ipoiz), subtract one equation from the other and integrate from —mT to mT (i.e. over a total T—range of 2T). Then

fmT
J-mT

, f . dHo
V

j d 2 Vo\
dz2

t5g fmT
mz

, . r

dz2

j

J -mT

This corresponds to a box normalization. trascioiu [110].

See also Appendix A of E. Gildener and A. Pa-

602

CHAPTER 23. Path Integrals and Instantons

On the left hand side we perform a partial integration; on the right hand side we can replace (in the dominant approximation) the integral by that integrated from — oo to oo, and since this is the integral over twice the kinetic energy (and hence S B ( ^ I C ) of Eq. (23.13)) we obtain (remembering the change of variable from T to z) , dipo Vo — dz dj)o\ Wo . i -mT dz J . diPo
dz

-mT

™2 39 2 '

(23.55a)

In order to be able to evaluate the left hand side we consider W K B approximations of the solutions of the equations of cases (a) and (b) above. The W K B solution of case (a) is (c being a normalization constant and the ZQ occurring here a turning point)

^°( z )

=

~TJl e x p ( ~ /

dz 1/2

v J,

v(z)=:

- 6sech 2 z

and

V(ZQ) = 0.

Thus for z —• oo we have v1/2{z) — n and tpo(z) —> 0, as required. The corresponding WKB > solution of case (b) which satisfies its required boundary condition, i.e. vanishing at z = mT, is similarly seen to be

*>(*> =

^

exp

Z**1/2)-">(-* L
/ dzv1/2\ + exp ( - 1 I

f,V2 dzv

exp

["dzv1/2
J zn

where v = n 2 — 6sech 2 z — (u> 2 /m 2 ). Differentiating the last expression we obtain d ipo(z) = —cv1'4 exp ( dz and so dz But (see ipo(z) above)
•>Po\ z=mT ^ -CV 1/4 ' exp rmT

dzv1/2\

exp ( /

,f, dzv1 / 2

1

4'o\z=mT — - 2 c 6 1 / 4 exp

rmT

/ Jz0

dzv1!-2

dz

/ J z0

dzv1/2).

Hence (with n2 ~ n 2 — (uig/m2)

for T —> oo) and analogously —^o(—mT) ~ 2 — i>o(—mT). dz dz

dz

•4>o(mT) ~ 2 — ipoljnT), dz

It follows that the left hand side of Eq. (23.55a) is

4>o
But
^0(2)
:

mT dj>o mT ~ 2ip0—-ip0 dz dz -mT -mT 4m 2

g cosh z

^

z

for z —> ±00,

so that 8m-* e = F 2 i — ^ 0 ( 2 ) — =F — =F2V>o(z) for z —> ±00. dz g Hence ip0(±mT) — i>0(±mT) az = 2 ^ 0 ( ± m T ) — ^ o ( ± m T ) ~ q=4( — dz \ g
2\ 2 -4mT

23.4 Field Fluctuations
Equation (23.55a) therefore becomes

603

-if,
\

2 c

-4mT „

^0 4m4

/

m2 Sg2

We thus obtain the result

wl z, 9 6 m 2 e - 4 m T ,

wo ~ voe~2rnT,

vo • 4\/6«

(23.55b)

We observe that this eigenvalue is positive; the configuration associated with the zero mode is approximated by a classically stable configuration. For T — co the eigenvalue vanishes. Note that > here we used a Euclidean time interval of total length IT. This boundary perturbation method may be repeated for higher eigenstates which are then found to possess T-dependent eigenvalues.

23.4.2

Evaluation of t h e functional integral

It is clear from Eqs. (23.52a) and (23.52c) that the infinite product they contain provides a particular difficulty. It is the evaluation of this quantity that we are concerned with in this section. The highly nontrivial method was devised by Dashen, Hasslacher and Neveu* with reference to other sources. ^ We set Jo := det
drj(Tm

din

/(nIW)^',
^
dr

d£k exp

?£i« n\

2

2 2 Wnp

(23.56)

One introduces the following mapping or so-called Volterra transformation for large but finite T at the lower limit
y(T)

=

V

(

T

)

-

/

Z(~T)=V(-T)

T

-^ 0,

(23.57)

where N(T) is the zero mode, i.e.
N{T) =
=

HL

1

.

(23.58)

g cosh m(T — r 0 )

One can then show

fvu
*R. F. Dashen, T Integration in I. M. Gel'fand and and W. T. Martin

— see Examples 23.2, 23.3 below — that Vz } Dry exp 1 \1/2
2ith)

lJTAr2(T)]
-1/2 T

[N(T)N(-T)\

dr

-1/2

/

TN*(T)\

(23.59)

B. Hasslacher and A. Neveu [63]. functional spaces and its application in quantum physics is lucidly described in A. M. Yaglom [107]. In particular this paper utilizes results of R. H. Cameron [43], [44] which are required in our context below.

604

CHAPTER 23. Path Integrals and Instantons

Observe that this expression is independent of the normalization of the zero mode N(T). Also observe that the transformation^ (23.57) transforms effectively to a free particle Lagrangian. After evaluation in Example 23.2 of the functional determinant occurring here, the integration requires the introduction of a Lagrange multiplier which enforces the endpoint conditions, i.e. boundary conditions, on the fluctuation rj{r) and hence on 0(T) itself; this latter calculation is done in Example 23.3. The evaluation of IQ with the above formula is then straightforward. We have for T — oo >
m
V K

'

'

1 g2 cosh4 mT

m -24e

-4mT

and
T

dr

i
71 m4 m

rmT

/

J-mT mT sinh 4z
32

dz cosh z

+

sinh 2z

3z

mT -mT

+—

ill
m 32
5

AmT
(

We observe how the large-T dependence cancels out in In and obtain the simple result In = det dr)(rm)
d£n

allfc

n

2n
w

1/2

m \ 1/2

kP2

(23.60a)

Note the variable T at the upper limit of Eq. (23.57) which implies that the transformation is a Volterra integral equation. This is an important point and should be compared with a Fredholm integral equation which has constants at both limits of integration. Consider a differential equation with second order differential operator M and Green's function K(x,x'), e.g. (M - X)u(x) = f(x), MK(x,x') = 5(x-x'), a < x < b,

and with boundary conditions B\ [u] = 0, -B2M = 0. The solution u(x) of the differential equation can be written u(x) = h(x) + \f
J a,

K(x,x')u(x')dx'

with

h(x) = f
J a

K(x,x')f(x')dx'.

For f(x) 7^ 0 this integral equation is called an inhomogeneous Fredholm integral equation; for f(x) = 0 the equation is called a homogeneous Fredholm integral equation. If one has an integral equation where K(x,x') is a function of either of the following types, K(x,x') = k(x,x')0(x-x') or K(x,x') = k(x,x')0(x' - x),

the inhomogeneous Fredholm equation becomes a Volterra equation, i.e.
rx rb rb

u(x) = h(x) + A /
J a

k(x,x')u(x')dx'

or u(x) = h{x) + A /
J x

k(x,x')u(x')dx'.

In the book of B. Felsager [91] this transformation can be found in his Eq. (5.42), p. 190.

23.4 Field Fluctuations

605

Inserting this result into Eq. (23.52c) we obtain for the kernel h the simple expression ' m\ ' 4 m3 (23.60b) irh) 3 hg2 We see that this result is no-where near to allowing a comparison with our earlier result Eq. (23.35a) for the determination of AE. The reason is that the zero mode has not really been removed, so that all fluctuations, i.e. perturbations, are still present. This has to be changed and is achieved with the Faddeev-Popov constraint insertion that we deal with in the next subsection. Example 23.2: Evaluation of the functional determinant
Apply the shift transformation (23.57) to the fluctuation integral (23.43) and evaluate the functional determinant occurring in Eq. (23.59), i.e.

Thj

Solution: We first derive the inverse of the transformation (23.57) by differentiating this which yields

JV(r)
We can rewrite this equation as
Z(T) N(T)

f,{r)
N(T)

N{r)
N2(T)

T)(T)

:

d ( r](r) dr\N(T)

Thus

?j(r) r
N(T)

i= r
J^

T

dr '

Z(T) N(T)

' hand side of this equation yields

When multiplied by N(T),

r) J-j partial integration of the right
r)-JV(r) I" K ' ' J-T

V(T)

dr'—(—^—)z<T'), dr'\N{T')) y h N(r)£ ,
dr' N(T') 'V \Z{T').

r,{r)

=

z(r) + f(r),

f(r) =

(23.61)

For further manipulations we observe that with Z2(T) (obtained by squaring the expression of the first equation above) we have by differentiating out the following expression:

\ i, M^
dr~

2/ ^NM
JV(r) r,2(r)V"(0c)

,

N

, ,JV(T)
N(T)

, , ,N2M
'N2(T)'

so that since N(r) — V"{tj>c)N{r) = 0 (by definition N(T) being the zero mode)

V2{T)

+ V"(0c)r/2(r) = z2(r) +

^[^(r)

Mr)'
N(T)

606

CHAPTER 23. Path Integrals and Instantons

The derivative term will from now on be ignored since when inserted into the action integral and integrated it yields zero on account of the vanishing of the fluctuation r)(r) at the endpoints T = r 0 = - T , T. Thus 5S,

i

r1

dr

+ v"(<pcW

£

dr

-z2(r) 2 v

;

The functional integral to be evaluated is To of Eq. (23.48b) which excludes the classical factor. Thus

h

/^ } exp[-/; /T {i(J) 2 + i^(, c )}
jv{z}
D{V} Dr]

f.A\i2{T)]
D{z},
Dz Dr] Dr] Dz

T>z Dr]

Our next step is the evaluation of the functional determinant. Prom Eq. (23.57) we deduce

dr]{r") ) 7

^L=S(T-T")+

(T

K(T,T')5(T'

-T")CLT'

with

K(T,T')

.

J-T

N{r'Y

(23.62)

where we allow for a general r dependence in the Volterra kernel as well. Discretizing the Volterra equation (23.57), i.e. Z(T) = r,(r) + fT K(T,r')r,(T')dT',

or more generally an integral equation of Fredholm type, by setting 5 = Ti+i — T;, i = 0 , 1 , . . . , n with TO = —T,rn — T, we can write the equation

z r

{ n)

= ^2

finiVin)

+

5

5Z

K T

( n>Ti)v(.Ti)-

(23.63a)

We observe that K(rn,Ti) = 0 for % > n. The discretization here is a very delicate point. A different and convenient — but not unique — discretization (discussed after Eq. (23.66)) is to rewrite the equation as
n n ..

z T

( n)

=

^2 Snir}(Ti) + 5^2
n r n

K T T

( ^ i)~{v(n)

+

v(n-i)}
cn—i

] T SnrtTi)

+ - £

K(r,Ti)f,(Ti)

+ ~Y,

K{r,Ti+1)r]{n).

(23.63b)

Equation (23.63a) can be rewritten in the matrix form of a set of simultaneous linear equations: / z(n) \
2(T2)

/

i + i^Cn.Ti)
5K(T2,TI) 5K(T3,T1)

o
1 + <5K(T 2 , SK(T3,T2)
T2)

z( 3)

T

1 + SK(T3,T3)

0 1 +

0 0 0 0
6K(T„,T„)

V{T3)

V 2(r„) /

V

*See also I. M. Gel'fand and A. M. Yaglom [107], after their Eq. (3.4).

N{-T) Finally we add the following remarks concerning the discretization (23.Ti) i=l : exp \ £ K(T.64) as above and consider the determinant of the expression. r i ) + . we obtain exactly the nonvanishing terms on the right of Eq. .67) i=l v ) = lim exp V In ( 1 + ' L -K(T.. (23.n) o K(TJ. = 1 52 K(n.. Thus in our case one of the kernels is zero and we have to decide what we do when.66) •Dr) .n) i=l N lim exp £*(T. (23.j.64).. Cameron and W. n — oo the expansion becomes > D lim Dn = 1 + n—*oo J K(r1. Our final step is to relate the Volterra-Fredholm determinant to the required functional determinant. where a f 1 See R.exp • /_:T JV(T')" dr' = e x p [ . n )d? (23. [44]. the kernel K(r.. the value of the determinant is half (or arithmetic mean value) along the diagonal.T1)dT1 + -J dn J dr-2. whereas the determinant arises only once in the original determinant Dn. This determinant can be expanded in powers of K (more precisely in powers of a parameter A which we attach to K).T2) -I exp I K(n. (23. T.T')dT' (23. (23.63a).63b). 192. i. In the limit S —* 0 . We observe that if we discretize Eq. r ' ) is to be evaluated at r = T ' .TI) K(T2. . Felsager [91]. Thus D„ = l + 5 ^ K ( r i . Thus the factor a inserted above has to be taken as 1/2.62) — and with insertion of a discretization dependent factor a still to be explained — we have in the present case D: . the kernels to the left and to the right would be associated with step functions 8(T — r') and 9(T' — T ) . Martin [43]. X(TI.TJ) The factorials arise since every determinant of I rows and I columns appears l\ times when i.65) The quantity D is really the Fredholm determinant which is obtained as above by solving the Fredholm integral equation with constant integration limits.n) K(Tj. ^This is the method explained by B. p.a { l n i V ( r ) . as in Eq.64) D (23.7 Y.4 Field Fluctuations 607 This equation represents a set of n linear equations which has a unique solution provided the determinant Dn of the coefficient matrix on the right does not vanish.64) Inserting the explicit expression for the kernel given in Eq.lnJV(-T)}] N(T) N(-T) (23. H.23. The Fredholm kernel is in general — as in our illustration above with a Green's function — a quantity with a discontinuity between the two constant integration limits.n) z=l x (23. This case has been considered in the literature^ where it is shown that if the Volterra transformation is considered as a Fredholm transformation whose kernel vanishes on one side of the discontinuity or diagonal. With this specific discretization the Jacobi matrix becomes diagonal and hence we obtain with the determinant coming exclusively from the diagonal* T>z ~Vri and then Vz Dr) = lim exp In TT ( 1 + -K(T.TI) 0 K(T2. are summed over all values from 1 to n. so that (with T -*T) -1/2 •Dz N(T) (23.e. 2! .68) D above.

^ .73) . Eq.71) Hence (with h = 1) -l = j . With partial integration (in the second step) we obtain (since (cf.N(T) . (23.61) we obtain the constraint on the function Z(T) which results from the endpoint constraint JJ(T^) = rj(T) = 0 on the fluctuations T){T). Briefly.L dT{ \ (i(r) exp T>z -1 N(T) + 1>n exp N(T)\2 ' N(T) J a2 N2(T) 2 JV 2 (r) We perform the functional integration as in Chapter 21. n J=.— . (23. (23.22)) In = (7T6)"/2 Vn + 1 exp e(n+l) ( Z n + l . (23. In every integration / dzi the contribution €7. rn+i = T. T + N(T) / T' = -T J-T dr' N(T') .l + £7t) «i (23. N(T') .69) Incorporating this condition into the functional integral Jo with a delta function 1 = / dz(T)S[z(T) we have (cf.608 CHAPTER 23. t h e range of T is subdivided into n + 1 equal elements of length e with (n + l)e = 2T and TO = —T. f(T) = N{T) J^ dr'^^z(r') (23. . In = dzi dz2 • • • dzn e x p . Thus 0 = 2 (rf) + f(rf) or 0 = z{T) + f(T). I2 and using induction one obtains (cf.Z i .59)) + f(T)] = — f dz(T) f°° dae^W+f™. (23.(T) + /_ dr — .e—*0 In.59) the endpoint conditions »)(±T) = 0 and evaluate the integral. I0 = — f dz(T) f 1>{z} f da T'Z x exp T>r\ «/>5^> + ix(*<T> + '"< T >/• T *>m™ 7V2(T') (23.( .72) The endpoint integration dz(T) = dz(rn+i) can be combined with this. so that (with V^N(T)/N(n)) 7t = J V{z}^[JT_Tdr[\[z(r)+ia^)' — lim n—*oo.2o) 2 rc^O.J dz(T) J T>{z} J da•Dz hJ dz{T) v{z} I f_A\^+-W)i{T)} J H § I"exp [ . Evaluating Ii. represents a constant translation. Eq.70) and this now requires also integration over the endpoint coordinate z(T).Z ( T ). and hence may be ignored.0. (21.3: Implementation of the endpoint constraints Using a Lagrange multiplier a insert into the functional integral (23. Path Integrals and Instantons Example 23.57)) z(—T) —> 0) ^)/>'|£^') = -iv(r)/_T/T'A(__l_)2(T0 T JV(T') T . Solution: From Eq.

(23.59) and agrees with that in the literature.10) and (21.75) or more generally a three-dimensional surface integration j dau by the volume integration f cftx through the relation dF(x) 6[F(x) — otTo]d x. (21. (23.74) where we re-inserted h. . we are left with§ Io 1 1 2TT Vz oo / Vz dee exp -oo * r 2 rT 2 dT^n N*(T) L T [N^Ni-T)]-1'2 /2TTh I.76) Since the zero mode T]O(T) is proportional to d(f>c{r)/dT with — SE.4. J -co § dr Recall that / f ^ doce-^ = yfVfp.. £n = ~2 dTT](T)7]n(l (23. (3.£Q) — aTo]dTod£o. Popov [89]. / — / / We started off with V(T) = ^CnVniT). ^E.3 T h e Faddeev—Popov constraint insertion The Faddeev-Popov constraint insertion implies the complete removal of the zero mode.e.^ 23.23. / d£o <9r0 5[F(TQ.4 Field Fluctuations 609 In the required limit the argument of the exponential is proportional to 1/T and thus vanishes in the limit T = (n + l)e — oo. Ignoring the remaining metric factor with the reasoning explained > between Eqs. -j / dTT]n(T)r]m(l r . D. i. N. Gildener and A. Patrascioiu [110]. 11 L. dxv 0(r) = (f>c(r) + V(r) and set 1 TOO a — const.11). Eq. Faddeev and V. -1/2 T W 2 (r)J (23. This result verifies Eq." The method consists essentially in replacing the single integration J d£o by a double integration involving a delta function. a = const.12).

e. in the direction of the zero mode. We consider the following integral / ( r 0 ) := . Path Integrals and Instantons _^ ^ w .78) <t>ij) = Y.£o)/a. In analogy to (23.- / dTm{r)n{T). (23.75) enforces the collective coordinate ro to be given by F(ro. (23.82) This condition says that (j)(r) is not to possess any component in the direction of T)O(T).^n{r). Thus. this constraint implies that we go to the subspace which is orthogonal to the zero mode. if the set {Vn(T~)} spans the Hilbert space of fluctuation states about 0C (at collective coordinate position r ) . (23.79) (23.e. We now impose (i.610 this means that CHAPTER 23. in the direction T]O(T) at the point TQ of the parameter r which parametrizes the trajectory of the classical configuration </>c(r). i /*oo (23.J drm(r)Mr + T0) (23. Then cn = ~2 / dr(pc(T)rjn(T).^O) with dependence on ro which the replacement (23. (23. i. at r = ro. demand validity of) the constraint £o = 0. in the case of the soliton of the static 1 + 1 dimensional theory this is the kink coordinate.£Q) — aro] contained in Eq.77) The set {r/ n (r)} constitutes a basis of the fluctuation space about the classical configuration.81) -2 / dr»7o(r)0c(r) = .80) i r or •i /*oo dr7?o(r)0(r) = 0.81) the r-dependence is integrated out and hence the integral does not provide the function F(TO.83) **The collective coordinate in the present context is also called "instanton time". i.e. A position ro of this classical configuration is called the collective coordinate** of (the field) 4>{T). (23.75) requires. where L = in + cn. In the integral of Eq.e. The delta function 8[F(TQ. We establish the function ^(To>£o) with the following reasoning. (23. The number £o is the component of the fluctuation rj(r). .g.76) we set 4>c{r) = ^CnVnir).

85) PJ W i t h Eq. 158. (23.4 Field Fluctuations 611 for an infinitesimal translational shift TO of the position of 4>c(r).75) 1 = AFP f dT06[{F{rQ. Expanding /(TO) about TQ = 0 we obtain (with (J>'C{T) = T)Q(T)\J13E/'p) /(TO) = = Hence / dTT]Q(T)[(j)c(T + To) .£O) OTQ = = £ " .82) we can replace here -7?O(T)0C(T) by 77O(T)T7(T). (23./ drri0(T)<pc(T) + PJ (23. Felsager [91].J dTrj0(T)[(t>c(T + TO) + ??(T)] i r /• I a rfT77o(T)—0C(T + TO) + sr — / dTrj(T)r)o(i # C ( T ) . We have AFP = /-F(T0.<t>c{r)} . -jdrrj0(T)4>c(r) + -JdTm(r)(p'c(T) X/SET0.^) .y/S^ro] (23. (23. . so t h a t with F(TQ.23.y/SET0 = 0.Zo)-y/SETQ We now define A FP '•- =0 • (23.90) Now tt 0^C(T + TQ) ro=0 <9T0 dr (23.(23.87) l/M) (23.£O) F(r0^0) we have defined as + ro) + T?(T)] = / ( T 0 ) + p£o. p.84) (23.86) = -Jdrrjoir^Mr F(TO.91) " F o r more discussion of this point and related aspects see also B. . We evaluate this quantity as follows in the leading approximation..88) ro-0 Then in Eq.89) Here the factor App is called the Faddeev-Popov determinant.

0AFP-8 4o H P . P the relative sign being of no significance.e. Thus the result is that the integration over the tangential or zero mode component £0 is replaced by an integration over the collective coordinate 7 o multiplied by the Faddeev-Popov determinant. (23.93). Consider. i. we obtain (remembering that % = pd(j>c/dT/y/S^) AFP = 4 = f dr ( ^ V \/!5E J-T \ dr * = yfe.94) ' ' T h i s is an important result which will be required later in the explicit evaluation of path integrals.92) We find therefore that the value of the Faddeev-Popov determinant is given by the square root of twice the classical kinetic energy or simply of SE-^ The relation (23. the "static energy" invariant.91) into Eq. i. tangential to (J)C(T)) leaves this and hence the square of this quantity. /(TO) ^/SE~T0} V~SET0 c d£. in d(j)c(To) + dr/fa). 770(7"). if ^ + d£o = 0. 0 d r (23. P J AT (23. fs d(/)c{ro) = We have also drj(T0) = d£0r]o(To) + ^2d£ir)i{To).e. if the coefficient of 770(70) vanishes. Path Integrals and Instantons Thus a shift TQ in the direction of the zero mode (i. iytQ 0C(TO + dr0) - 4>C{TQ) = dT0^'c(T0) = dr0 7 0 (r 0 ).e. =~ (23.e. ~ There is a quick way to obtain the result (23. 7 Thus there is no fluctuation along the direction of the zero mode in the sum. Inserting (23. The factor p is a normalization factor which we > retain here only for ease of comparison with literature and may otherwise simply be put equal to one.75) now becomes d£0AFP8[f(T0) = = / dr0 / J&T J + p£0 . i.77) between the zero mode d(^ c (r)/dr and the fluctuation vector in its direction.612 CHAPTER 23. using the relation (23./ dT0AFP. .93) where AT = TT — 00.90).

98) . (23. This very important intermediate result is the contribution of a single instanton or kink configuration to the p a t h integral (ii has been defined by (23. we can set I 2TT ^o = l'o\ wlp2'' which with Eq.96) lim . We have to take into account also multi-instanton configurations which almost stationarize the action integral and satisfy the same boundary conditions as the instanton.4 Field 23.A T A F P i " o e x p T—>oo p where I'o n^O.4 Fluctuations T h e single instanton contribution 613 We now return to the multiple integral (23. so t h a t h = det r)/(n\ppATexp 4 m3' -ATAFPdet(^ \ a£ jexp (23.52a) and replace in this J d£o by the expression (23. We determine I'Q by observing t h a t this differs from IQ of Eq.97) is a constant still to be evaluated. Since w\ is for finite T given by WQ of Eq.4.95) P Here |£o| 2 in the exponential is multiplied by WQ which is very small for large T and approaches zero in the limit of T —>• oo.35a) since the dependence on Tf — Ti = 2T of both expressions differs significantly.93).55b). The source of lack of similarity is attributed to the fact t h a t the contribution of a single instanton to the p a t h integral is not enough.43)). We observe t h a t the result (23.96) does not yet allow a comparison with (23.55b) implies I'o w0p m \ ' LOQP '2-K irh) m \ ' irh) 4:\/6mp -mAT (23.23.60a) in not involving the zero mode contributions.60a) for I0 and Eq. (23. We can now perform the Gaussian integrations and write the result lim T^oo p 4 m3 exp 3^J (23. (23. (23. (23.

Gildener and A. Patrascioiu [110].101) 2T -> oo (cf. i. they have to introduce the inverse of that factor on the far right of their expression (3.2 m T e x p 2 irgh ' T-»oo (23. (3. *For the validity of the calculation the instantons or kinks have to be far apart. (23.100) We observe that the dependence on the normalization constant p cancels out.4>C exp h (23.a n t i .e.r).100) in such a way that it exhibits the crucial factors of which it is composed.* Finally we rewrite the expression (23.20). Patrascioiu [110] make the replacements \QP <-> 2g 2 and p?GP <-» 2m 2 . In view of their normalization of the normal modes. 0c M.5 I n s t a n t o n . ^See E. we drag the factor p2 along for ease of comparison with literature.55b)) w0 = v0e VQ 23. . Path Integrals and Instantons It follows that the kernel becomes* h = Urn -ATAFPI0( T-^oo p W^TT ^L exp 4 m3"1 3^h 4 m6 .614 CHAPTER 23.i n s t a n t o n contributions As already mentioned. This means we are concerned with configurations like* 2n+l d(r . in the present case we also have to include multiinstanton configurations in the form of one instanton plus any number of instanton-anti-instanton pairs which describe back and forth tunneling between the two wells.4. Although we choose p2 = 1.102) *For comparison with the parameters of E. the approximation is then known as the "dilute gas approximation". their Eq. (23. the result becomes h lim 2 m r ^ ^ -1 e . Gildener and A. T0 < 4l) <C Ti « 42) < • • • «C T 2 n + 1 = T — oo (23. Thus — the subscript 1 indicating that it is the Feynman amplitude for the oneinstanton contribution — lim where with A T ATAFPI0 W0 SE{. ~ rKo')e{Tx .32).Ti-M-iy+'Mr «>.99) limlATAFF/0f^^e-A^exp 4 m3 3 / ^ Inserting the explicit expressions for IQ and App.

T2}((t)2.Ti} -OO J — OO /-OO OO OC -OO d(f>2 J — OO Le-SE{<l>f.<t>ff + h . ( 2 3 . we can expand the Euclidean actions here involved as follows (the first derivative vanishing at a solution): SE{<j>f. (23.r / 3 .(r) = ^ 2 n + 1 ) ( r ) + 77(r) with r ^ ) « 0. .H)2 + .Tl\(j)i. Since these endpoint configurations. (3) (23. this means we have to consider the amplitude (23.<j>i) + 2 d<& 1 r)2 *? k? + (<f>2 .23. . (n = 0 implies the single instanton solution).Tl}{4>l.Tf\(p2. 2 .l ) i + 1 in the sum of Eq.2 T / 3 . the total Feynman amplitude is given by (^/.102) distinguishes between instanton (rising from left to right) and anti-instanton (rising from right to left). r 0 ( 2 ) = 0.r 0 ( 1 ) = . 1 0 6 a ) and SE{(J>I. here (f>2. (23.17b) and there perform first the integrations over the intermediate configurations whose endpoints are not fixed. The factor ( . r0(3) = 2T/3. T2 = T/3. Taking these configurations into account.<Pi)2 + • • • .Ti) = X^/' T /I&> r i> ( 2 n+1) n=0 (23. .4>i.4>l)e-SE{4>l.106b) SE{<t>l.104) Considering the case n — 1 of a kink with one additional kink-anti-kink pair. 23.<t>2)e-SE{<t>2. Consider (with T 0 = -T.103) For instance for n = 1 one has the configuration <jyc (T) which has the form shown in Fig.(l>i) (23.<t>f) + 2 d</>{ SE{4>fi4>i) + ld2SE 2 d(/){ ( h . (23.<j>i) . T3 = T) d(f>l((pf.4 Field Fluctuations 615 for n = 1. are varied.6.T2\(f)l.r/l&.fo) = Id2 St SE(<Pf.4>I) ld2SE SE(c/>i.36) (/. Proceeding as before we now consider first in analogy with Eq. 7 i = .105) where we write 'proportional' since only the classical instanton action depends on the endpoint configurations.

e.(01 .105) can in other respects be treated in analogy with the single instanton amplitude.106b) is to be substituted into the second relation of (23.2d2SE ~c 4>i- d(f)i e x p -SE^f. (23.4>f) d4>\ 4>s72 (23.e.108) where the last expression is obtained as follows. It follows that — always within our approximations — c (^TflfaTjW -SE{<t>f. that each applies only to a fraction of the overall Euclidean time interval of r = 2T. d2SE{4>) d(j)2 2m.2J. (23.109) The result of these integrations is that the