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    Siegfried Flügge - Practical Quantum Mechanics-Springer (1998)

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    Siegfried Fliigge Practical Quantum Mechanics 6 Springer Siegfried Fliigge Practical Quantum Mechanics Reprint of the 1994 Edition Originally published as Vol. 177 and 178 of the Grundlehren der mathematischen Wissenschaften Mathematics Subject Classification (1991): Primary 81-01, 81-02, 81A06, 81A10, 81A63, 81A69, 81A75, 81481; Secondary 34E20, 35J10 Library of Congress Cataloging-in-Publication Data Fliigge, Siegfried. {Rechenmethoden der Quantentheorie. English] Practical quantum mechanics / Siegfried Fligge. -2nd print. 1994 p.cm,-- (Classics in mathematics) Includes index. ISBN 3540650350 (soft: alk. paper) 1. Quantum theory.2. Mathematical physics. . Title. IL. Series. (C174, 12. F5813 1999 530.12-dde21 Photograph of Siegfried Fligge by kind permission of Gertrud Farber ISSN 1431-0821 ISBN 3-540-65035-0 Springer-Verlag Berlin Heidelberg New York ‘This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. © Springer-Verlag Berlin Heidelberg 1999 Printed in Germany ‘The use of general descriptive names, registered names, trademarks etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. SPIN 10684602 _41/3143-543210 - Printed on acid-free paper Siegfried Fliigge Practical Quantum Mechanics With 78 Figures Springer-Verlag Berlin Heidelberg New York London Paris Tokyo Hong Kong Barcelona Budapest Prof. Dr. Siegfried Fliigge Fakultat fur Physik der Universitat Freiburg i.Br. The first English edition of this book has been published in two volumes as: Die Grundlehren der mathematischen Wissenschaften, Band 177 and 178 AMS Subject Classification (1970) Primary 81-01, 81-02, 81 A 06, 81 A 10, 81 A 63, 81 A 69, 81 A 75, 81 A 81 Secondary 34 E 20, 3510 Second Printing 1994 ISBN 3-540-07050-8 Springer-Verlag Berlin Heidelberg New York ISBN 0-387-07050-8 Springer-Verlag New York Heidelberg Berlin Library of Congress Catalog Card Number 70-140508 This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. © Springer-Verlag Berlin Heidelberg 1971 Printed in Germany The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and there- fore free for general use. SPIN: 10470346 41/3140 - 5 43 21 0 ~ Printed on acid-free paper Preface This work was first published in 1947 in German under the title ““Re- chenmethoden der Quantentheorie”. It was meant to serve a double purpose: to help both, the student when first confronted with quantum mechanics and the experimental scientist, who has never before used it as a tool, to learn how to apply the general theory to practical problems of atomic physics. Since that early date, many excellent books have been written introducing into the general framework of the theory and thus indispensable to a deeper understanding. It seems, however, that the more practical side has been somewhat neglected, except, of course, for the flood of special monographs going into broad detail on rather restricted topics. In other words, an all-round introduction to the practical use of quantum mechanics seems, so far, not to exist and may still be helpful. It was in the hope of filling this gap that the author has fallen in with the publishers’ wish to bring the earlier German editions up to date and to make the work more useful to the worldwide community of science students and scientists by writing the new edition in English. From the beginning there could be no doubt that the work had to be much enlarged. New approximation methods and other developments, especially in the field of scattering, had to be added. It seemed necessary to include relativistic quantum mechanics and to offer, at least, a glimpse of radiation theory as an example of wave field quantization. The choice of the problems, included in the old days in a somewhat happy- go-lucky way, had now to be carefully reconsidered. Thus a total of about twice as many problems as in the last German edition has resulted. Not one of the original problems has been simply translated; not more than about fifty have only undergone reshaping from the earlier text; the bulk, however, is going to be presented here for the first time. Nevertheless, the general character has remained the same, with perhaps a slight tendency to arrive at even more applicable results and numerical values at the end of each problem. The more elementary problems, such as square-well potentials, have not been omitted but somewhat abridged. The general introduction to the German edition, some twenty odd pages surveying the basic equa- VI Preface tions and their meaning, has been discarded. Any student using the problems will be sufficiently well acquainted with the general framework to justify that omission. On the other hand, the extensive use of special functions made throughout the work seemed to make a mathematical appendix useful in which such formulae as occur in the problems have been collected and, in part, derived. With considerable hesitation but giving way to the publishers’ practical arguments the author has consented to having this edition divided into two separate volumes, hoping that no serious damage has thus been done to the intrinsic structure and continuity of the work. To facilitate its use, the complete index for both parts has been printed twice and will appear at the end of each volume. The numbers, there- fore, refer to the problems in question, not to pages. Hinterzarten, March 1971 The Author Preface to the Paperback Edition More than three years have elapsed, since this work appeared as a two-volume cloth edition. Author and publisher have been much gratified to learn how well it was received by scientists in many coun- tries and how useful it proved to students of physics. To serve as a regular supplement to text books, however, it was hampered by its necessarily high price. Hence, the author has gratefully accepted the publisher’s suggestion of a much less expensive one-volume Springer Study Edition; the more so, since it has always been-his wish, as al- ready expressed in the former edition’s preface, to see the total work re-united in one volume. To save every conceivable additional cost, no corrections or alterations have been made; an errata sheet listing trivial errors, however, has been prepared, see p. XVI. Furthermore, the original pagination has been kept unchanged which, we trust, should cause very little inconvenience. Author and publisher very much hope that a more widespread distribution of the book will thereby result and that it will meet espe- cially the needs of the student. Hinterzarten, September 1974 The Author Contents Volume I I. General Concepts . Law of probability conservation ........... sl . Variational principle of Schrédinger. .. . .. 2... 2 . Classical mechanics for space averages... ......~ 5 . Classical laws for angular motion... . . 2... 1. 6 Energy conservationlaw. ........-...-.-. 8 je Hermitian conjieate sees e cere eae 9 . Construction of an hermitian operator... ...... 10 . Derivatives ofan operator... 2.2... 2.2.77 e 12 . Time rate of an expectation value... ........ 13 . Schrédinger and Heisenberg representations .. . . . . 14 . Time dependent hamiltonian. . 2 2. 2... ee 17 . Repeated measurement .. 2... -..-.---. 18 . Curvilinear coordinates... 2... 2.27 7 eee 19 |. Momentum space wave functions... ........ 20 . Momentum space: Periodic and aperiodic wave functions 22 II. One-Body Problems without Spin One-Dimensional Problems .......-..--..- 25 16. Force-free case: Basic solutions. .... 2.2... 26 17. Force-free case: Wave packet... ......... 28 18. Standingwave. . 2... 2. 2 ee ee eee 32 19. Opaque division wall... 2. 2... ee ee 35 20. Opaque wall described by Diracd function. ...... 39 21. Scattering at a Dirac 5 functionwall ......... 40 22. Scattering at a symmetric potential barrier... . . . 42 23. Reflection at a rectangular barrier... 2... 2... 44 24. Inversion of reflection. .. 2... 2.2. ee eee 47 25. Rectangular potentialhole. ... 2... 222-0 48 26. Rectangular potential hole between two walls. . . . . . 52 27. Virtual levels 57 Contents Volume I 28. Periodic potential. ©... 2. ee eee 29. Diraccomb. .... 2... 2... ee ee eee ee 30. Harmonic oscillator... 2... 2. ee ee ee 31. Oscillator in Hilbert space... 2... 2.2.08: 32. Oscillator eigenfunctions constructed by Hilbert space ROUNDS etree eet at eae aU aa te 33. Harmonic oscillator in matrix notation ........ 34. Momentum space wave functions of oscillator . . . . . 35. Anharmonic oscillator... 2 2... 1 ee ee eee 36. Approximate wave functions... .......... ‘7 -2Potentialistep isis case este eeee esate eeeeeeceeceaeeeaeieseatitt 38. Péschl-Teller potentialhole ............. 39. Potential hole of modified Péschl-Teller type. . . . . 40. Free fall of a body over earth’s surface... 2... 0. 41. Accelerating electrical field 2. 2... .....00.2 B. Problems of Two or Three Degrees of Freedom without Spherical Symmetry ................. 42. Circular oscillator. 2 2 2 1 2 ee ee 43. Stark effect of a two-dimensional rotator... .. ~~ 44, Ionized hydrogen molecule... ........-- 45. Oblique incidence ofa planewave ..........- 46. Symmetricaltop . 2 2 2 ee ee ee C. The Angular Momentum ...............- 47. Infinitesimal rotation... 2... 2. ee 48. Components in polar coordinates... ........ 49. Angular momentum and Laplacian. .... 1... 50. Hilbert space transformations ............- 51. Commutators in Schrddinger representation... . . . 52. Particlesofspind. 2... 2... 0 ...0.-000- 53. Commutation withatensor .. 2.2... 2... 54. Quadrupole tensor. Spherical harmonics. . . . . . . . 55. Transformation of spherical harmonics ....... . 56. Construction of Hilbert space for an angular momentum COMMpONGME Hse etete sete tetris 57. Orthogonality of sphericalharmonics ......... D. Potentials of Spherical Symmetry ........... a) BomndStates 6 2 et 58. Angular momentum expectation values... .... Contents Volume I 59. Construction of radial momentum operator 60. Solutions neighbouring eigenfunctions. ... ...... 61. Quadrupole moment ..............-.. 62. Particle enclosedinasphere. ............ 63. Square well of finitedepth. ....... 64. Wood-Saxon potential .. 2... 2... 65. Spherical oscillator... 2... 0 ee 66. Degeneracy of the spherical oscillator... ...... 67. Kepler problem .................. 68: -Hulthen potentials 3 4c cece 69. Kratzer’s molecular potential. . . . . . . 70. Morse potential . 2. 2... ee 71. Rotation correction of Morse formula. . . 72. Yukawa potentialhole ......... 73. Isotope shiftinx-rays. . 2... 2. eee ee 74. Muonicatom ground state... . 2... 2.204 75. Central-force model of deuteron... ........ 76. Momentum space wave functions for central force potentials ce seep eee eee ae una tiy 200 77. Momentum space integral equation for central force PObem tials i eee 202 78. Momentum space wave functions for hydrogen. . . . . 204 79. Stark effect of a three-dimensional rotator... . . . . 206 b) Problems of Elastic Scattering. .. 2. ........ 208 80. Interference of incident and scattered waves ..... 208 81. Partial wave expansion of planewave ......... 210 82. Partial wave expansion of scattering amplitude . . . . . 213 83. Scattering at lowenergies ......... ses 216 84. Scattering by a constant repulsive potential. . . . . . . 218 85. Anomalous scattering. . 2... 2. 2 ee eee 222 86. Scattering resonances... 2... 2. ee ee 225 87. Contribution of higher angular momenta. ....... 229 88. Shape-independent approximation .... . . SaaS. 89. Rectangular hole: Low-energy scattering. . . . . . . . 235 90. Low-energy scattering and bound state Toso! 91. Deuteron potential with and without hardcore... . . 240 92. Low-energy cross section with and without hard core . . 243 93. Low-energy scattering by a modified Péschl-Teller potentialhole . 2... 2... ee ee ee 244 94. Radialintegralequation. .......... 2. 248 95. Variational principle of Schwinger... 2... 1. 252 Contents Volume I 96. Successive approximations to partial-wave phase shift . . 07; Calogerosiequation fee ee 98. Linearization of Calogero’s equation ........- 99. Scattering length for a negative-power potential. . . . . 100. Second approximation to Calogero equation... .. . 101. Square-well potential: Scatteringlength ........ 102. Scattering length for a Yukawa potential. ....... 103. Improvement of convergence in a spherical harmonics Ga Ree eee eer ae Seerieeieer aerteg oe einer er Eeeeer eee 104. Collision-parameter integral . . 2. 2... ee 105. Born scattering: Successive approximation steps 106. Scattering by a Yukawa potential. .......... 107. Scattering by an exponential potential. ........ 108. Born scattering by a charge distribution of spherical symmetry! sce ec 109. Hard sphere: High energy scattering. .. ....... 110. Rutherford scatteringformula............ 111. Partial wave expansion for the Coulomb field. . . . . . 112. Anomalous scattering. .. 2... 2... ee ee 113. Sommerfeld-Watson transform... .... 2.2... 114. Reggepole .. 2.2... 22. ee ee ee eee E. The Wentzel-Kramers-Brillouin (WKB) Approximation . . 115. Eikonalexpansion .............-... 116. Radial WKB solutions .. 2... 2.2... 00% 117. WKB boundary condition of Langer... 2... .. 118. Oscillator according to WKB approach ........ 119. WKB eigenvalues in a homogeneous field ....... 120. Kepler problem in WKB approach .......... 121. WKB phases in the force-freecase .......... 122. Calculation of WKB phases... ........2.. 123. Coulomb phases by WKB method .......... 424--Quasipotentialy icc tite ies eater creed teers F. The Magnetic Field... 2... 2... 2. 125. Introduction of a magnetic field... 2... 2.0... 126. Current in presence of a magnetic field . 2... 0... 127. Normal Zeeman effect... ...... 128. Paramagnetic and diamagnetic susceptibilities without spin XI 254 258 259 260 263 266 268 271 272 . 275 278 282 285 288 290 293 298 299 301 326 328 Contents Volume IT TI. Particles with Spin A. One-Body Problems. ................. 4 129. Construction of Pauli matrices... 2... ..... 1 130. Eigenstates of Pauli matrices. ©. 2... 1... 3 i3i Spin algebras eee eee 6 132. Spinor transformation properties... ........ ie 133. Spin electron inacentralfiedd ©... 2... ...00. 9 134. Quadrupole moment ofa spinstate. ......... 12 135. Expectation values of magneticmoments ....... 14 136. Fine structure... 2... ee ee 16 137. Plane wave of spin} particles ©... 2... 0.0... 18 138. Free electron spinresonance. . .. 2.2... 0.0. 20 B. Two- and Three-Body Problems ............ 22 139. Spin functions for two particles... .. 2... 2... 22 140. Spin-dependent central force between nucleons . . . . . 25 141. Powers of spin operators... .. 1... .- 2-4 26 142. Angular momentum eigenfunctions of two spin particles . 27 1435/1 Tensotforceioperator.s i jacceaieiiiiiee eee 29 144. Deuteron with tensor interaction... ........ 34 145. Electrical quadrupole and magnetic dipole moments ofdeuteron 2 1. te 34 146. Spin functions of three particles ..........0% 37 147. Neutron scattering by molecular hydrogen. . . . . . . 40 IV. Many-Body Problems A. Few Particles... 2. 2 2 2 2 ee ee ee ee 43 148. Two repulsive particles onacircle .......... 43 149. Three-atomic linear molecule... . . 2... 2... 47 150. Centre-of-mass motion... . 2-2... 22-0 54 151. 152. 153. 154, 155. 156. 157. 158. 159. 160. 161. 162. 163. 164. 165. 166. Contents Volume II Virialtheorem . 2... ee Slater determinant... 2... 2. ee ee ee Exchange in interaction terms with Slater determinant . . Two electrons in the atomic ground state... .... Excited states of theheliumatom. .......... Excited S states of the helium atom... ... 2... Lithium eround state sess teite ce taneet eit Exchange correction to lithium ground state... . . . Dielectric susceptibility .. 2... 2... 2... Diamagnetic susceptibility ofmeon .......... Van der Waalsattraction ...........-.. Excitation degeneracy. ©. 2. 2... ee ee Neutral hydrogen molecule ..........-.. Scattering of equal particles... 2... 2... Anomalous proton-proton scattering ......... Inelastic scattering . 2. 2... ee ee ee ee Very Many Particles: Quantum Statistics ....... . 167. 168. 169. 170. 171. 172. 173. 174, 175. 176. 177. 178. 179. 180. 181. 182. 183. 184. 185. 186. lectron-easiin-aimetal: seas re Paramagnetic susceptibility ofametal. ........ Field emission, uncorrected for image force... . . . Field emission, corrected for image force ....... Pwihiteldwantsi sce eas eee ern Thomas-Fermi approximation... .. 2.4.2... Amaldi correction fora neutralatom ......... Energy of a Thomas-Fermiatom ........... Virial theorem for the Thomas-Fermiatom ...... Tietz approximation of a Thomas-Fermifield . . . . . Variational approximation of Thomas-Fermi field. . . . IBcreening of Avelectrons)) 322277 ssa she caus V. Non-Stationary Problems Two-level system with time-independent perturbation . . Periodic perturbation of two-level system ...... . Dirac perturbation method .. 2... ......004 Periodic perturbation: Resonance... .. 2... 2. Golden Rule for scattering. . 2... 2... eee Born scattering in momentum space. .. 2... 2... Coulomb excitation ofanatom. ........... PhOtoemect se cies istics eet teers aeis ett ieteioate 100 100 102 105 108 113 116 121 123 127 128 130 134 XIV 187. 188. 189. 190. 191. 192. 193. 194, 195. 196. 197. 198. . Conduction current and polarization current... . . . 200. 201. 202. 203. . Radial Kepler solutions at positive kinetic energies 205. 206. 207. 208. 209. 210. 211. 212. 213, 214, 215. 216. 217. 218. 219. Contents Volume II Dispersion of light. Oscillator strengths ........ Spin flip in a magnetic resonance device... . . . . « VI. The Relativistic Dirac Equation Iteration of the Diracequation. ... 2.2.2.2... Plane Dirac waves of positiveenergy ......... Transformation properties ofa spinor. ........ Lorentzcovariants .. 2... 2. ee ee ee ee Parity transformation. .. 2... 2. eee wee Charge conjusation iii aint Hh Hitec tit Mixed helicity states 2. 2... 2. ee ee ISpin-expectation value 222i issn saat eC cacas Algebraic properties of a Dirac wave spinor... ... Current in algebraic formulation ........... Splitting up of Dirac equations into two pairs... . . Central forcesin Diractheory .........-.- Kepler problem in Diractheory. ...........- Hydrogen atom fine structure... .........- Angular momentum expansion of plane Dirac wave . . . Scattering by a central force potential. . 2... 2... Continuous potential step... 2... ee Plane wave ata potentialjump. ........... Reflected intensity at a potentialjump. ........ VI. Radiation Theory Quantization of Schrodinger field... 2. .....2. Scattering in Born approximation. .......... Quantization of classical radiation fied ....... . Emission probability ofaphoton. .......... Angular distribution of radiation... .. 2... - Transition probability... 2... 2... eee ee Selection rules for dipole radiation .. 2... 2... Intensities of Lyman lines... . 2... 17+. Compton eflect(iecc teasers tee eietote Bremsstrahlung 2... 1... 1 ee ee - 160 165 Contents Volume II xv Mathematical Appendix Coordinate systems .. 2... 2... ee ee ee ee 257 Ffunction. 258 Bessel functions. .. 2... 6 ee ee ee ee 260 Lependre functions tiseria seit aap eestor tei eat 264 poplericell Iearamcnraics iets tete eset tags oy Tee eee ree 267 The hypergeometric series ©... 1.1... 2. - 20 ee 211 Theconfluent series. 2. 2. 2... ee ee ee ee 274 Some functions defined by integrals .. 2... 2.2.0.2. 276 Index for VolumesIandIT. 2... 2. ee ee 279 I. General Concepts Problem 1. Law of probability conservation If the normalization relation J@xyty=i (1.1) is interpreted in the sense of probability theory, so that d°x*y is the probability of finding the particle under consideration in the volume element d°x, then there must be a conservation law. This is to be derived. How may it be interpreted classically? Solution. The conservation law sought must have the form of an equation of continuity, A 6p divs + oe (1.2) with p=yry (1.3) the probability density, and s the probability current density. As p is a bilinear form of y and its complex conjugate, Eq. (1.2) can be constructed only by a combination of the two Schrédinger equations h Oy h oy* Hy=-—-—; += z v 7 Or Aw 7 Or (1.4) with the hamiltonian ne H=->—VW4+V() (1.5) 2m the same for both equations. Thus we find Ut HY —-WHy* = ae e i ot According to (1.2) it ought to be possible to write the left-hand side in the form of a divergence. Indeed we have 2 General Concepts h? h? YtHY VHT = — 2 Vy —WVtW) = 5 civ 9) m 2m so that we may identify c= wevy-vvyt). (16) 2mi Classical interpretations may be arrived at as follows. If the quantities pand s are both multiplied by m, the mass of the particle, we obtain mass density p,, and momentum density g: Pm=Mp; g=ms, (1.7) and the equation of continuity may be interpreted as the law of mass conservation. In the same way, multiplication by the particle charge, e, yields charge density p, and electric current density j: Pe=ep; jes, (1.8) and (1.2) becomes the law of charge conservation. It is remarkable that the conservation laws of both mass and charge are essentially identical. This derives from the fact that one particle by its convection current causes both. The expression for the total momentum of the Schrédinger field, derived from (1.6) and (1.7), h P= J @Pxg= I Bx(y* Vy -Y VY), i may by partial integration in the second term be reduced to p= J axyt (3v)o (9) corresponding to its explanation as the expectation value of the momen- tum operator (h/i) V in the quantum state (cf. Problem 3). Problem 2. Variational principle of Schrédinger To replace the Schrédinger equation 2 ys viny = Ev (2.1) 2m by a variational principle for the energy. Problem 2. Variational principle of Schrédinger 3 Solution. Since the constraint J@xytpal (2.2) holds for any solution w of the differential equation (2.1), the energy will be found by multiplying (2.1) with y* and integrating over the whole space: 2 e=[aexe{-Evvevinnt. (2.3) 2m A partial integration in the first term yields, according to Green’s law, Jaexy* Vp = Ff wr Vy—[PxVYr- Vy. (2.4) Now, the normalization integral (2.2) exists only if, at large distances r, the solution vanishes at least as wort; e>0. Under this condition, however, the surface integral in (2.4) vanishes when taken over an infinitely remote sphere so that (2.3) may be written ga [ax {¥ yey tus vow. (2.5) 2m This equation is completely symmetrical in the functions y and w*, as is the normalization (2.2), so that it might equally well have been derived from the complex conjugate of Eq. (2.1), a ayes V(ny* = Ey. (2.1%) 2m It would not be difficult to show that (2.1) and (2.1*) are the Euler equations of the variational problem to extremize the integral (2.5) with the constraint (2.2). We shall, however, make no use of the apparatus of variational theory and prefer a direct proof, instead. Let w, be a solution of (2.1) that belongs to its eigenvalue E,. It will give the integral (2.5) the value E,. Let us then replace y, by a neigh- bouring function y,+5y with |5~| being small but arbitrary, except for (2.2) still to hold for y,+dy as well as for y,: J@xVt+oy*).t+ oy) =1 and therefore [ax 50" +UT Sy) + [Pxdy*5y = 0. 26) 4 General Concepts Setting y,+6y into the energy integral (2.5), the energy becomes E,+5E, with 7 : 5E,= | ax {Ecos vow +vd,-vouey vennsir+vrsin} + | ex{E vove-vov+vovrsul. 27) Here the first-order changes stand in the first, and the second-order changes in the second line. By partial integration in the sense opposite to the one above we fall back, in the first line, on 6y V7 and d6y*V7p, where (2.1) and (2.1*) may be used to eliminate the derivatives. E.g. we then have fox{E vvr-vov vunoo} =E, [exouws, m so that with the help of Eq. (2.6), the first line of (2.7) may finally be reduced to second-order contributions only: 2 5E,= i} axfe wav +E hve. (28) 2m Since no linear contribution in 5y or 6y* remains, E, clearly is a maxi- mum or a minimum for 6 = 0, i.e. for y, being a solution of the Schré- dinger equation. Whether we get a maximum or a minimum will be decided by the sign of (2.8). To get some insight into this last question we make use of the set {w,} of solutions to (2.1) to form a complete orthogonal system of func- tions, JaPxwe dy = Sy 29) We then expand dy with respect to this system: by =Yow- (2.10) Eq. (2.8) then renders : 5E,=DD che, J ax {FE vos Wo. +V—Eowtich ue =EEee [ays | Fvy,+0 enw} or, using (2.1) and (2.9): 5E, = Yie,)(E,—E,)- (2.11) # Problem 3. Classical mechanics for space averages 5 If E, is the ground state, we have E, >E, for all states y, so that the sum (2.11) is positive. The variational principle therefore makes E, a mini- mum. No such general rule can be established for excited states where the sum (2.11) consists of positive and negative terms. Problem 3. Classical mechanics for space averages To show that Newton’s fundamental equation of classical dynamics, a? _f an (3.1) with p the momentum of, and F the force acting upon the particle, still holds for the space averages (expectation values) of the corresponding operators in quantum mechanics. Solution. If the force F derives from a potential, F= —VV, and momentum is replaced by the operator (h/i)V, then the two space aver- ages in Eq. (3.1) are defined by pat [evs (3.2) = -fexwe Vy. (3.3) Our task then is to prove that (3.1) is valid for the integrals (3.2) and (3.3) if y and y* satisfy the Schrédinger equations h a a fh wl ay +N; i at 2m hove e (3.4) == Vt yt. Hemme a We start our proof with the time derivative of Eq. (3.2): is fifeien a Bx(h* Vp + yt VW) = . Bx(it Vy —PVy*) where the surface contribution of the partial integration in the last term vanishes and has been omitted. Replacing y* and y according to (3.4), we may proceed to 6 General Concepts ie b= -> J Bx(V2y* Vp +V0 VY) a v + Jexue VV +V yy). (3.5) A partial integration, fd xV2yr Vy = — [ax Vy V2y shows that the two terms of the first integral cancel each other out. In the other integral of Eq. (3.5) we perform a partial integration in the last term, p= farxy* {VVY-VVW}. Making use of VV) = VV +WVV, we finally arrive at p= —-JPxVVV)Y=F, as was to be proved. Problem 4. Classical laws for angular motion To show that the classical relation between angular momentum L =r xp and torque T=r x F (where p stands for linear momentum and F for force), dL at still holds for the space averages in quantum mechanics. T, (4.1) Solution. As in the preceding problem, we start by constructing the space averages 4 [aevrexoy (4.2) and = —fadxw*(rx VV). (4.3) The wave functions, y and *, are again supposed to satisfy the Schré- dinger equations (3.4). Problem 4. Classical laws for angular motion 7 We begin the proof of Eq. (4.1) by differentiating L, Eq. (4.2): . ok L= 7 J x (rx Vp) +yrrx Vy}. In the second term we use the identity wevd =Vurd)—bvyr, to the first term of which we apply the general vector rule J@xrxvf=0 (4.4) with f=y* yp. Thus we arrive at i =1 | @erxeve—vwwn where we replace the time derivatives y* and y according to (3.4): : =-— f @Bxrx (Vy Vp t+ VyVyr*) 2m + JdexVrxWVrVy+yvy*). (4.5) Now, in the first integral, the bracket Vy Vyp + Vy Vyt = V(VYr- Vy) is the gradient of the scalar function f=Vy*-Vy so that, according to (4.4), this integral vanishes. In the second integral, the bracket is equal toV(y*y). We then use the identity VV) = VV y)—WryvV and for f = Vp*w again the vector rule (4.4). Then the integral becomes finally JP xrx [VV] = —JdxrxWAYVV), i.e. it becomes identical with the torque average (4.3), as was to be proved. 8 General Concepts Problem 5. Energy conservation law If the energy content of a Schrédinger wave field is described by the space integral (2.5) of problem 2, the law of energy conservation should be of the form ow | divs=0 ay t divs = (5.1) with W the energy density and S the energy flux vector. This law shall by derived by constructing the flux vector S. Solution. We have found in (2.5) that E=[dxw (5.2) with woe vye-vy su Vy, (5.3) 2m where the first term is the kinetic, the second the potential energy density. According to Eq. (5.1) we need the derivative 2 v = Ede ve svye wh Vureeub. (5.4) Since Viv = Vr Vy)—yr Vy Vr vb = Vb Vyr)—YV7y* we can reshape the kinetic energy part of (5.4) and write and i he h 7 wave vy riven evy yet 2m 2m 2m +ueVp + vy. (5.5) In the last terms, use of the Schrédinger equations (3.4) permits us to replace space derivatives and potential by time derivatives. The resulting terms h hi w(-2y)+u(2vr)=o exactly cancel so that Eq. (5.5) indeed is of the form (5.1) to be proved with u s=—-yevy+yvue) 66) 2m the energy flux vector. Problem 6. Hermitian conjugate 9 Problem 6. Hermitian conjugate The hermitian conjugate 2 of an operator Q is defined by Jac(Qy)* 9 = fdry* ato (6.1a) or, in Hilbert space notation, = CIA" p> (6.1b) with y and @ any two functions normalized according to Wwh>=1; =1- (6.2) This definition shall be translated into a matrix relation. What follows for the eigenvalues of a hermitian operator defined by Q = Qt? Solution. The matrix of an operator is defined with respect to a com- plete set of orthonormal functions, {u,}: Kult? = Sv « (6.3) The arbitrary, but normalized functions y and g then may be expanded, = Lay, 9=Lbyuy- (6.4) y # Putting (6.4) into (6.1), we get LL ath, =F Lat b, mY ny and, since this is supposed to hold for any pair yp, ¢, it must hold for each term separately, « (6.5) We now use the set {u,} for matrix definition, writing the right-hand side of (6.5) = fdr(Qu,)* u, = {fdruf(Qu,)}* = Cu,|Qu,>* = QF. Hence, it follows from (6.5) for the matrix elements of Q and Q that (Q)\yy = QM, (6.6) i.e. the elements of the hermitian conjugate (or adjoint) matrix are obtained by transposing (u=v), and taking the complex conjugate of, the elements of Q. It may be noted that from (6.6) we get immediately Qt = Q. 10 General Concepts For a hermitian (or self-adjoint) matrix Q with Q = Qt, according to (6.6), we have : 2, = %,- (67) With p =v this shows the diagonal elements to be real. That holds for any orthonormal set (i.e. for any coordinate system in Hilbert space), thus also if the set {u,} is so chosen as to make Quy = OpFyy (6.8) a diagonal matrix with the eigenvalues ,. It follows that a hermitian matrix has real eigenvalues. NB. The last result is the reason for all operators corresponding to physical quantities (observables) being hermitian operators. Problem 7. Construction of an hermitian operator To translate the classical quantity xp, into a quantum mechanical operator. Solution. a) Since the operators x and p, do not commute but satisfy the commutation relation PxX—XPx (7.1) which is easily checked in the Schrédinger representation ho Sarina (7.2) oe (72) we expect every operator Q=(1—a)xp,+ap.x (7.3) to correspond to the classical quantity xp,. Let us first suppose the con- stant « to be real. It must now be determined in such a way that the expectation value of Q in any quantum state described by a wave function y is a real number: (Q) = fd x* Oy = real. (7.4) Using (7.2) for p,, Eq. (7.4) in more detail becomes ? Solution. The expectation value (A= WAI) =farw* AYO (9.1) has the time rate 4 (Aya lactt Av vt Ad). 92) The time derivatives of the two wave functions y and y* satisfy the Schrédinger equations if anys Dye antys (9.3) with the hamiltonian operator H being hermitian: H =H. Putting (9.3) into (9.2), we find : GAD =F Jae Av AH or, in Hilbert space notation, d ' as”? = 7 HVIAW)— IHD}. (9.4) 14 General Concepts In the first term of (9.4) we use the identity (cf. Eq. (6.1b)) KQUl9>= Ia @> or CHA py =I Ab) =(h|HAY). Eq. (9.4) then becomes d i a © = 7 VA AH (9.5) or, briefly, d au = <[H,4)>. (9.6) Applying (9.6) to the special operators A=x, and A=p, and using Egs. (8.1) and (8.2), we find the canonical equations of classical mechanics to hold for the expectation values: OH ad oH £ ope (3 ap. ) qi P= (3) : (97) 1 Problem 10. Schrédinger and Heisenberg representations In the Hilbert space coordinate system chosen in the so-called Schré- dinger representation, the operators p,, q, do not depend upon time, but the state vector y does and satisfies the Schrédinger equation 2 "yany (10.1) with H(p,,q,) the hamiltonian of the system. Let H not depend explicitly upon time. It shall then be shown that a “rotating” Hilbert coordinate system with the state vector y at rest (Heisenberg representation) follows by an unitary transformation U(t) and that the operators p,, q, in that frame depend on time according to the canonical equations OH OH h=—-—: =. 10.2 bea ba (10.2) Solution. Let all time-independent operators be denoted by a super- script 0 and let the time, when by “rotation” of the Heisenberg frame the coordinate systems begin to differ, be denoted by t=0. Then any Heisen- berg operator Q(t) coincides with its Schrédinger form at t=0, Q(0)=°. Problem 10. Schrédinger and Heisenberg representations 15 The state vectors in the Schrédinger frame, y(#), and in the Heisen- berg frame, y/°, then are connected by the relation ¥@=UMYy. (10.3) It should be noted that, within normalization, the choice of (0)=° is still free. The normalization conditions, iW>=1 and =?'>1">--->0 so that the factors H, taken at different times, form a time-ordered product with the later factor always standing in front of the earlier one. 18 General Concepts Problem 12. Repeated measurement The time-independent hamiltonian H of a system has eigenvectors |v) with non-degenerate eigenvalues hw,: Hlv)=ha,|yy. (12.1) Let an observable A be defined by the equally non-degenerate eigenvalue problem Aln> =a,|ny (12.2) in the same Hilbert space. Let the system initially have been in the state |v) and then let a measurement of the observable A be performed on this system. What is the expectation value of A and what is the probability of finding the value a,, of A by this measurement? — If the measurement leads to the value a,, and is then repeated a time interval ¢ later, what is the probability that the value a,, will again be found? Solution. The expectation value of A in the initial state is . With the expansions P=Lhycayy; GI =Leln’> =a, | |? (12.3) The probability of finding the value a,, as the result of the first measure- ment therefore is Pa={/?- (12.4) Afterwards, the system is no longer in the initial state |v), but in the state |m). Its further development follows from the Schrédinger equation m6, ihe ID=HIn, (12.5) where |t) denotes the state vector at the time ¢, with the initial condition |0>= Im). Since H does not depend on time, this leads to the solution pte ay (12.6) Problem 13. Curvilinear coordinates 19 or, if |m) is expanded in eigenfunctions of H, Im>= Yu) , # and using ain © ® |py=e ly, it leads on to I) =Del"|u> Culm). (12.7) Using now the same consideration that led us to Eq. (12.4) we find that the probability again to measure a,, at the time ¢ is P= |/? (12.8) 0. * If (14.1) is used to define f(K), application of fd?xe~** to (14.1) and use of the definition of the three-dimensional 6-function, apy = [bx alk Y= amp fe xe , lead easily to the inversion (14.2). —The same relation is used in deriving Eq. (14.8) below. 22 General Concepts It should be noted that from the normalization Jexiv(n=1 : (147) there follows J@kis?=1. (14.8) This can be shown by setting (14.1) into (14.7) for y: JPxl b(n)? =2)-3 f dxf Pk f deh elf) F¥(). If here the integration over coordinate space is first performed? we almost immediately arrive at the expression (14.8). Problem 15. Momentum space: Periodic and aperiodic wave functions To deduce the probability interpretation of momentum space wave functions in the continuous spectrum by starting from periodic wave functions y/(r) in ordinary space and investigating the limiting process for infinitely large periodicity cube. Solution. Let L be the period in each of the three space directions x,y,z. Then the Fourier series WD=LIL eer; w (15.1) K includes terms only with components 2 ky =F; n=0, +1, +2,... (15.2) of each vector k. This means that in k space, for large L, a volume element @°k includes L\3 on) (15.3) 2n, states of different k’s. The normalization of series (15.1) can still be chosen by suitable choice of the coefficients c,. The square integral over the periodicity cube is J PxWP=LPY Lek cy elo of dexel™ Or (Ly kk 2 Cf. however, the remark at the end of the following problem. Problem 15. Momentum space: Periodic and aperiodic wave functions 23 where the last integral vanishes if k’#k and becomes =L? if k’ =k: J @xbWbP?=Ylel?. (15.4) we) x Let P, now be the probability of finding the particle in the periodicity cube L’, then |c,|? P,, will be the probability of finding there the particle with momentum hk, and |c,|? the probability that, if the particle is found within L’, its momentum will turn out to be hk. We now go on to infinitely large L. Then we may replace the Fourier sum (15.1) by a Fourier integral over k space which according to (15.2) and (15.3) may be done by using the rule i 5-(£) ak. (15.5) : Eq. (15.1) then yields Wr.) = a [ee petro, (15.6) This Fourier integral describes a wave function of finite values independent of L if, and only if, the quantity + () tk) =f(h) as7) has a finite limit for Loo. The wave function v(t) = aur) f(k, thelr 09 (15.8) then may be normalized according to feswe= ct [ex[ewsaare farce 30 Qn? where the last integral runs over infinite space and can be evaluated: Ja?xo"’-"" (20) 5(k’—h), (15.10) so that we find for (15.9): JP xy? =faPk fk)? (15.11) which, by the way, is simply the same as translating the sum (15.4) with (15.7), according to the rule (15.5). Hence, the probability that a particle found anywhere has its momentum k within the element d°k becomes dP, =ak\ f(k,0). (15.12) 24 General Concepts NB. Some caution is necessary if f(k) is not a continuous function of k, with respect to exchange of integrals. Let e.g. be : S(k)=(27) 5(ko—k). (15.13) According to (15.8) we then have Yr, 1) =o 208, (15.14) The integrals (15.9) with exchanged order of integration and (15.11) would then be integrals over the square of a delta function and would be entirely meaningless. But if integration over ordinary space is performed last, Eq, (15.9) gives Jaxwr=fax, which is consistent with the wave function (15.14). II. One-Body Problems without Spin A. One-Dimensional Problems One-dimensional problems, though in a sense oversimplifications, may be used with advantage in order to understand the essential features of quantum mechanics. They may be derived from the three-dimensional wave equation, 7 a ow i at’ (Al) Pa - VW tM, D Y= 2m if the potential depends upon only one rectangular coordinate x, by factorization: pele +432) 9(x, 1), (A.2) The differential equation thus resulting for o(x,1), Po Ww h 09 -— a5 + (KB +K)04+V%,0)0= —-- = Sin at om eee rte go may be further simplified by putting i h (x, =e" u(x,0); hag = Im +k). (A.3) We thus arrive at the one-dimensional wave equation, W Ou h Ou -— t+ V(%Ou= -- 5. (A.4) Imm oat + VOOM= — FF a4) The exponential factors in (A.2) and (A.3) describe plane-wave qualities in the directions perpendicular to the x-axis which, however, do not affect the behaviour of the wave function in x-direction. 26 One-Body Problems without Spin. One-Dimensional Problems Problem 16. Force-free case: Basic solutions The one-dimensional wave equation shall be solved in the case V=0 and the physical significance of the solutions shall be discussed. Solution’. The wave equation h? Oy -——e= 16.1 2m 6x? ee permits factorization, Vx )=uX)9), (16.2) because by putting (16.2) in (16.1) one arrives at he hg ee (16.3) 2mu ig where hw stands as abbreviation for the separation parameter. Splitting (16.3) into two separate equations we obtain §=—iwg, ie. g(t)=e™ (16.4) and 2 w+ Fe u=0. (16.5) With real «, the wave function is periodic in, and ||? independent of, time (stationary state) ; with w positive, the constant 2mo eee ee (16.6) h becomes positive too, and the solutions of (16.5) are as well periodic in space. It is an essential feature of quantum mechanics that time dependence is of the complex form (16.4); the real functions sin@t and cost are not solutions of the differential equation (16.4). This behaviour, so different from classical physics, is a consequence of the Schrédinger equation being of the first order in time. The physical meaning of the parameter w may be further interpreted by considering the operator on the left-hand side of (16.1) to be the hamilt- onian, consisting only of the kinetic energy operator in our case. It follows that E=hw is the kinetic energy of a particle and must hence be positive real. Our solution therefore is an eigenstate of the hamiltonian. In the following we shall write y again for the one-dimensional part of the wave function satisfying Eq. (A.4), and u for its space part. Problem 16. Force-free case: Basic solutions 27 Since k? is a positive constant, the complete solution of (16.5) or u'+k2u=0 (16.7) u(x)= Ae™*+ Be *™ (16.8) so that the one-dimensional wave function W(x, t)= Ae" 4 Betton) (16.8b) consists of two waves running in opposite directions, both with phase velocity v,,=0/k. The physical significance of the space part (16.8) of the wave function becomes clear when we derive density pay (16.9) and flux on oy oy* s= f(w - +) (16.10) from (16.8b). We find p=lAl+ |B)? +(A BYe?**+ A* Be™ 2); hk s=— (\Al?—|BP). m The two waves, of amplitudes A and B, apparently correspond to two opposite currents whose intensity is given by their respective normalization constants and is proportional to k. The density shows interference of the two (coherent) waves causing a space periodicity. As long as no special reason (like boundary conditions) is given to achieve coherence, it will be reasonable to take either of the two waves, putting B=O and obtaining s>0, or A=O giving s = Since the integrand is an odd function of x, this integral vanishes for all states: =0, in accordance with the vanishing flux. Problem 19. Opaque division wall 35 NB. The mathematical problem is very much the same as the classical one of the vibrating string, the only difference being that here eigenvalues of the energy and there eigenvalues of the frequency follow the quadratic law (18.9). The classical vibration energy has no analogue, however, in the quantum me- chanical problem since it derives from the possible excitation of the string vibra- tion to arbitrary amplitudes, whereas the amplitudes of our wave functions are fixed by the normalization condition (186), i.e. by the fact that the particle number is one. Problem 19. Opaque division wall In the preceding problem an opaque wall of infinitely small width but infinitely large height shall be introduced at x=0 and its effect upon the eigenstates investigated. -a 0 +a Fig. 2. Potential well with opaque wall Solution. The opaque wall dividing the whole region into two equal parts may be obtained by idealization of a barrier of finite width 2¢ (between x= —e and x= +e) and height V). We introduce the abbrevi- ations 2mE a then we have a total of four boundary conditions at this barrier, viz. continuity of u(x) and w(x) at x= +e, besides the two boundary conditions u(+a)=0. Satisfying the latter two and writing the solution in real form, we have 2 R; Fr Mo- B=", (19.1) A,sink(x+a) -—a — 0. (19.6) The second case is simplest. The eigenfunction has a zero at the wall, and the solution becomes 6) = Asink, (x+a), —a). A solution of even parity, on the other hand, necessarily must be of the form —Asinki(x+a) in —a0 (21.2) Problem 21. Scattering at a Dirac 6 function wall at where A and B are different constants for x<0 and x>0 which can be adjusted to make (21.2) satisfy the boundary conditions. These lead to the more special form eM 4 Be for x<0, ul) = 40 a (1+ Fye™* for x>0 if the amplitude of the incident particle current is normalized to 1. Then B is the backward, and F the forward scattering amplitude. According to (20.3), the behaviour of u(x) at x=0 is determined by u(-+0)=u(—0) and w(+0)—u'(—0) = 22u(0). (21.4) These relations yield B=F and ik(1+F)—ik(1—B) (21.3) 2.0(14B) so that finally (21.5) ik-Q In the solution (21.3) we can distinguish three different currents: the incident one has been normalized to unity, the reflected intensity is |B|? and the transmitted intensity |1+F|?. From (21.5) there follows 2 Q 2 ke Braet WHFP=ae (21.6) leading to the conservation law (equation of continuity) 1=|BP+(14+F/; (21.7) ie. the sum of reflected and transmitted intensities is equal to the incident intensity of the current. If the wall is very opaque (Q— 00), Eq. (21.5) leads to B=—1 and 1+F=0 so that we approach total reflection. If, on the contrary, the wall is almost completely transparent (Q-0), we find Q ace! and the scattered intensity becomes inversely proportional to the par- ticle energy. This does not, of course, hold for small energies (k|L,L-+47\, backward scattering in the opposite case. Problem 23. Reflection at a rectangular barrier The general formulae derived in Problem 22 shall be applied toa potential barrier with 2m 5 GeV =K in besa, (23.1) and V=0 elsewhere. The transmittance of the barrier shall be determined. Solution. Inside the barrier, the Schrédinger equation becomes u’ +(k2-12)u=0. (23.2) There are, therefore, solutions of different type for a kinetic energy below (kko) threshold. We begin with the first case and write k-K =x; u"—xu=0. (23.3) Then the even solution is u,(x)=coshxx; u,(0)=1; u(0)=0 (23.4a) and the odd solution 1) = 5 sinh; u_(0)=0; u_(0)=1. (23.4b) Hence, L, =au', (@)/u,(@)=xa tanhxa; (23.5a) L_=au'_(a)/u_(a)=xacothxa. (23.5b) The transmittance of the barrier then follows from (22.9b) by elementary reshaping: 1 T=|1+F? =—.,———_ (23.6) ze 1+(4) sinh?2xa Problem 23. Reflection at a rectangular barrier 45 whereas the reflectance, according to (22.10), is given by R=|BP=1-T. (23.7) In classical mechanics, the whole flux arriving from the left side would be reflected at the barrier so that |B|?=1 and |1+F|?=0. This happens, according to Eq. (23.6) if, and only if, xa— 00, i.e. if there is a very great »potential mountain“ above the energy level of the particles, the trans- parency of the barrier will become very small though still finite (“tunnel effect”). The transmittance of the barrier may then be written approximat- ely 16k? x? T=—* ko Cans (23.8) its order of magnitude being mainly determined by the exponential factor. +a 4xa=2 fox /v-H will be generalized to this integral form for any potential V(x), below (cf. Prob- Jem 116). The exponent If, on the other hand, the kinetic energy exceeds the height of the barrier, the quantity x defined by (23.3) becomes imaginary. With the abbreviation K=k?-k= 2 (23.9) we may then write, instead of (23.6), 1 ay ae 1+(45) sin?2Ka Though in classical mechanics there should be T=1 and R=0 at these energies, the transparency following from (23.10) shows maxima of T=1 onlyat 2Ka=nn(n=1,2,3, ...). Between these there are minima in the neighbourhood of 2K a=(n+4)a which lie the closer to T=1 the smaller the factor in front of the sine in (23.10), i.e. the higher the energy above threshold. The general behaviour of T as a function of the energy (in units of the threshold height, say, U) is shown in Fig. 5 where T has been drawn as a function of E/U for the example 2kya=31. The wave function has been explained in Fig. 6 where |u|? has been drawn vs. x. On the right- hand side of the barrier we simply have |u|?=|1+ Fl’, ie. constant, T= (23.10) 46 One-Body Problems without Spin. One-Dimensional Problems whereas on its left there is interference of the incident with the reflected wave. Fig. 6 shows this feature for k?=?=}k3 and different widths of the barrier. The broader the latter, the smaller is the intensity transmitted and the more pronounced the interference phenomena become. 1.0 15 20 €/U—— Fig. 5. Transmittance of potential barrier for E>U in dependence upon energy Fig. 6. Probability density |u|? in the current falling upon the barrier from the left, in the case E

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