Carlos Ramirez
March 29, 2012
2
Science is built up of facts, as a house is with stones. But a collection of facts is no
more a science than a heap of stones is a house. Henri Poincare
The scientist does not study nature because it is useful to do so. He studies it
because he takes pleasure in it, and he takes pleasure in it because it is beautiful.
If nature were not beautiful it would not be worth knowing, and life would not be
worth living. I am not speaking, of course, of the beauty which strikes the senses,
of the beauty of qualities and appearances. I am far from despising this, but it has
nothing to do with science. What I mean is that more intimate beauty which comes
from the harmonious order of its parts, and which a pure intelligence can grasp.
Henri Poincare
Quantum theory is used in a huge variety of applications in everyday life, includ
ing lasers, CDs, DVDs, solar cells, breoptics, digital cameras, photocopiers, bar
code readers, uorescent lights, LED lights, computer screens, transistors, semi
conductors, superconductors, spectroscopy, MRI scanners, etc, etc. By some esti
mates, over 25% of the GDP of developed countries is directly based on quantum
physics. It even explains the nuclear fusion processes taking place inside stars.
Contents
1 Schr odinger Equation (1D) 13
1.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
1.1.1 Importance . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
1.1.2 History . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
1.1.3 Natural Units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
1.2 General properties of the Schr odinger Equation . . . . . . . . . . . . . . . . . . 18
1.2.1 Linearity, Superposition principle . . . . . . . . . . . . . . . . . . . . . . 18
1.2.2 Time Independent Schr odinger Equation . . . . . . . . . . . . . . . . . . 19
1.2.3 Boundary Conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
1.2.4 Interpretation, Probability conservation . . . . . . . . . . . . . . . . . . . 20
1.2.5 Expected values, Momentum space, Eigenvalues and Dirac Notation . . . 20
1.2.6 Heisenberg Uncertainty principle . . . . . . . . . . . . . . . . . . . . . . 21
1.2.7 Correspondence Principle and Ehrenfest Theorem . . . . . . . . . . . . . 22
1.3 Simple Potentials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
1.3.1 Free Particle (Plane Wave) . . . . . . . . . . . . . . . . . . . . . . . . . . 23
1.3.2 Step Potential . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.3.3 Potential Barrier (Ramsauer and Tunnel eects) . . . . . . . . . . . . . . 29
1.3.4 Innite Potential Well . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
1.3.5 Finite Potential Well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34
1.4 Harmonic oscillator (1D) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36
1.5 Exercises, Schr odinger Equation (1D) . . . . . . . . . . . . . . . . . . . . . . . 39
1.5.1 Matter waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
1.5.2 Other wells and steps . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
1.5.3 Innite well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
1.5.4 Harmonic Oscillator . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
1.5.5 Other Potentials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52
1.6 Basic References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55
1.6.1 Complemetary math. references . . . . . . . . . . . . . . . . . . . . . . . 56
1.6.2 Matter Waves references . . . . . . . . . . . . . . . . . . . . . . . . . . . 58
2 Schr odinger Equation 3D 63
2.1 Center of mass motion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63
2.2 Cartesian coordinates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64
3
4 CONTENTS
2.2.1 Plane waves, free particle (3D) . . . . . . . . . . . . . . . . . . . . . . . 64
2.2.2 Particle in a perfect box . . . . . . . . . . . . . . . . . . . . . . . . . . . 64
2.2.3 Anisotropic Harmonic oscillator (3D) . . . . . . . . . . . . . . . . . . . . 64
2.2.4 Particle in a Magnetic Field . . . . . . . . . . . . . . . . . . . . . . . . . 65
2.3 Central Potentials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
2.3.1 Spherical Waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
2.3.2 Innite spherical bag . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67
2.3.3 Finite spherical bag . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68
2.3.4 Isotropic harmonic oscillator . . . . . . . . . . . . . . . . . . . . . . . . 70
2.3.5 Coulomb potential, Hydrogenic atoms . . . . . . . . . . . . . . . . . . . . 73
2.4 Schr odinger Eq. (3D) exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79
2.4.1 CM motion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79
2.4.2 Cartesian coordinates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79
2.4.3 Central Potentials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80
2.4.4 Hydrogenic atoms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82
3 Quantum Mechanics Formalism 87
3.1 Mathematical framework . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87
3.1.1 Hilbert Spaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87
3.1.2 Operators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89
3.1.3 Representations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91
3.2 Quantum Mechanics Formalism . . . . . . . . . . . . . . . . . . . . . . . . . . . 94
3.2.1 Postulate I . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94
3.2.2 Postulate II . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95
3.2.3 Postulate III . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95
3.2.4 Postulate IV, Dynamics . . . . . . . . . . . . . . . . . . . . . . . . . . . 95
3.3 Interpretation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98
3.3.1 Copenhagen Interpretation . . . . . . . . . . . . . . . . . . . . . . . . . . 98
3.3.2 Other interpretations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100
3.3.3 Paradoxes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101
3.4 Selected Phenomenology, interpretation and applications . . . . . . . . . . . . . 103
3.4.1 Bell inequalities . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103
3.4.2 Quantum Computing, Chriptography, Teleprotation, etc . . . . . . . . . 106
3.4.3 Transition from Quantum to Classical Physics . . . . . . . . . . . . . . . 107
3.4.4 Historical quotations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
3.5 Formalism, exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110
3.6 Quantum Mechanics Interpretation references . . . . . . . . . . . . . . . . . . . 113
4 Angular Momentum 119
4.1 Orbital Angular Momentum . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119
4.1.1 Orbital Angular Momenta eigenvalues and Spherical harmonics . . . . . 120
4.2 Angular Momenta, General case . . . . . . . . . . . . . . . . . . . . . . . . . . . 122
4.2.1 Rotations group: SU(2) algebra . . . . . . . . . . . . . . . . . . . . . . . 122
CONTENTS 5
4.2.2 Irreducible Representations . . . . . . . . . . . . . . . . . . . . . . . . . 122
4.3 Sum of Angular Momentun . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127
4.3.1 ClebschGordan Coecients . . . . . . . . . . . . . . . . . . . . . . . . . 129
4.3.2 WignerEckart Theorem . . . . . . . . . . . . . . . . . . . . . . . . . . . 132
4.4 Aplications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133
4.4.1 Raman Spectroscopy (Molecular Rotation) . . . . . . . . . . . . . . . . . 133
4.4.2 SternGerlach Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . 136
4.4.3 Pauli Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138
4.4.4 Magnetic dipoles in magnetic elds . . . . . . . . . . . . . . . . . . . . . 139
4.4.5 Paramagnetic Resonance . . . . . . . . . . . . . . . . . . . . . . . . . . . 141
4.4.6 NRM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143
4.4.7 ElectronSpin Resonance . . . . . . . . . . . . . . . . . . . . . . . . . . . 145
4.4.8 LS and JJ Schemes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147
4.5 Angular Momenta Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148
4.5.1 Orbital Angular Momenta Exercises . . . . . . . . . . . . . . . . . . . . . 148
4.5.2 Angular Momenta, general . . . . . . . . . . . . . . . . . . . . . . . . . . 151
4.5.3 Sum of Angular Momenta . . . . . . . . . . . . . . . . . . . . . . . . . . 152
4.5.4 Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153
4.6 Angular Momenta references . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157
5 Theory of Perturbations 159
5.1 Time independent perturbations (RayleighSchr odinger) . . . . . . . . . . . . . . 160
5.1.1 No degenerate case . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160
5.1.2 Degenerate case . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 161
5.2 Time dependent Perturbation Theory . . . . . . . . . . . . . . . . . . . . . . . . 162
5.3 Interaction Picture . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 164
5.4 Semiclassical Aproximation (WKB Method) . . . . . . . . . . . . . . . . . . . . 165
5.4.1 BohrSommerfeld Quantization rules . . . . . . . . . . . . . . . . . . . . 168
5.5 Variational principle . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170
5.6 Numerical Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170
5.6.1 Time independent 1D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170
5.6.2 Matrix diagonalization . . . . . . . . . . . . . . . . . . . . . . . . . . . . 171
5.6.3 Time dependent . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 171
5.6.4 Scattering theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172
5.6.5 Several particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172
5.6.6 Monte Carlos, Finite Temperature . . . . . . . . . . . . . . . . . . . . . . 172
5.6.7 Path Integrals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 173
5.7 Perturbation Theory, Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . 174
5.7.1 Perturbations time independent (nondegenerate case) . . . . . . . . . . 174
5.7.2 Time independent perturbation (degenerate case) . . . . . . . . . . . . . 177
5.7.3 Time dependent perturbation theory, exercises . . . . . . . . . . . . . . . 182
5.7.4 Semiclassical Approximation (WKB method) and BohrSommerfeld quan
tization rules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 183
6 CONTENTS
5.7.5 Variational Principle . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 187
5.7.6 Numerical Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 189
5.8 Perturbative approximations references . . . . . . . . . . . . . . . . . . . . . . . 191
6 Topics in Atomic Physics 193
6.1 Hydrogenic atoms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 193
6.1.1 Nuclei mass . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 193
6.1.2 Relativistic corrections at order (Z)
2
. . . . . . . . . . . . . . . . . . . 193
6.1.3 Case m
2
> m
1
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 195
6.1.4 LambRetherford shift at order (Z)
2
. . . . . . . . . . . . . . . . . . . 198
6.1.5 Case m
2
= m
1
= m . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 202
6.2 Hydrogenic atoms in external elds . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.2.1 Zeeman eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.2.2 PaschenBack eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 207
6.2.3 Stark eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 208
6.3 Several electrons atoms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 209
6.3.1 Helium . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 209
6.3.2 Several electrons atoms . . . . . . . . . . . . . . . . . . . . . . . . . . . . 211
6.3.3 General Considerations . . . . . . . . . . . . . . . . . . . . . . . . . . . . 211
6.3.4 Central Potentials, Self Consistent Aproaches . . . . . . . . . . . . . . . 212
6.3.5 Periodic Table . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 214
6.3.6 LS and JJ couplings . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.3.7 X rays . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.3.8 External Fields . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4 Molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.1 BornOppenheimer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.2 Electronic Spectra . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.3 Rotovibrational spectra . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.4 Van der Walls forces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.5 Exercises on Atomic Physics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 216
6.5.1 Reduced Mass . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 216
6.5.2 General, Breit Fermi . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 216
6.5.3 Fine Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 218
6.5.4 LambRetherford . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 219
6.5.5 Hyperne structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220
6.5.6 Zeeman and Stark eects . . . . . . . . . . . . . . . . . . . . . . . . . . . 221
6.6 Atomic Physics references . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 225
7 Radiation 229
7.1 Semiclassical radiation theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . 229
7.1.1 Multipolar expansion, Electric and magnetic dipole approximations . . . 230
7.1.2 Absorsion of Radiation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230
7.1.3 Estimulated emision . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 231
CONTENTS 7
7.1.4 Spontaneous emision . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 232
7.1.5 Black body radiation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 233
7.1.6 Selection rules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 233
7.1.7 Halflife and line width. Photoelectric eect . . . . . . . . . . . . . . . . 233
7.2 Radiation exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 234
7.3 Semiclassical theory of Radiation references . . . . . . . . . . . . . . . . . . . . 237
8 Scattering Theory 239
8.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 239
8.2 Integral Schr odinger Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 243
8.2.1 Born Aproximation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 244
8.2.2 Form Factors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 245
8.2.3 Range of validity of the Fermis Golden Rule . . . . . . . . . . . . . . . . 247
8.3 Partial Waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248
8.3.1 Partial waves decomposition . . . . . . . . . . . . . . . . . . . . . . . . . 248
8.3.2 Calculation of
l
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 249
8.4 Analitic solutions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250
8.4.1 Hard sphere . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250
8.4.2 Soft sphere and Finite well . . . . . . . . . . . . . . . . . . . . . . . . . . 252
8.4.3 Rutherford case . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 253
8.5 Resonances . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.5.1 Resonances 1D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.5.2 Resonances: case of nite well . . . . . . . . . . . . . . . . . . . . . . . . 254
8.5.3 BreitWigner parametrization . . . . . . . . . . . . . . . . . . . . . . . . 254
8.6 Spin eects. Identical particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.7 Inelasticity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.7.1 Optical Theorem . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.8 SMatrix properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.9 LippmanSchwinger Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.10 Approximate Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.11 Scattering Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 255
8.11.1 Borns Approximation Exercises . . . . . . . . . . . . . . . . . . . . . . . 255
8.11.2 Partial Wave Phases, Exercises . . . . . . . . . . . . . . . . . . . . . . . 256
8.11.3 Exact solutions, Resonances and Inelasticity Exercises . . . . . . . . . . . 257
8.12 Scattering Theory references . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 259
A Constants and Formulae 261
A.1 Constants, units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 261
A.2 Useful formulae 1D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 262
A.3 Useful formulae 3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 262
A.4 Formalism formulae . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 263
A.5 Angular Momenta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 264
A.6 Perturbations theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 264
8 CONTENTS
A.7 Matter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 264
A.8 Radiation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 265
A.9 Scattering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 265
A.10 Integrals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 265
B Math 267
B.1 Basic Math . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 267
B.1.1 Trigonometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 267
B.1.2 Quadratic (Conic) Plots . . . . . . . . . . . . . . . . . . . . . . . . . . . 267
B.1.3 Vectorial Calculus . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 268
B.1.4 Curvilinear coordinates . . . . . . . . . . . . . . . . . . . . . . . . . . . . 268
B.1.5 Diracs delta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 269
B.1.6 Complex Analysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 269
B.1.7 Analytical Integrals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270
B.2 Relativity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 271
B.3 Special Functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 273
B.3.1 Bessel functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 273
B.3.2 Spherical Bessel functions . . . . . . . . . . . . . . . . . . . . . . . . . . 274
B.3.3 Hypergeometric functions . . . . . . . . . . . . . . . . . . . . . . . . . . 275
B.3.4 Conuent Hypergeometric functions . . . . . . . . . . . . . . . . . . . . 275
B.3.5 Airy Function . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 276
B.3.6 (z) and B(x, y) functions . . . . . . . . . . . . . . . . . . . . . . . . . 277
B.3.7 Polylogarithmic functions . . . . . . . . . . . . . . . . . . . . . . . . . . 277
B.3.8 Error, Fresnel and related functions . . . . . . . . . . . . . . . . . . . . . 278
B.4 Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 279
B.4.1 Legendre Polynomials and functions . . . . . . . . . . . . . . . . . . . . . 279
B.4.2 Spherical harmonics and Angular Momenta . . . . . . . . . . . . . . . . 281
B.4.3 Gegenbauer Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . 282
B.4.4 Chebyshev Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . 283
B.4.5 Laguerre Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 284
B.4.6 Hermite Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 286
B.5 Numerical Analysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 286
B.5.1 Gaussian Integration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 287
B.5.2 Singular integrals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 291
B.5.3 Fitting data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 292
B.6 Math exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 293
List of Tables
4.1 Rotovibrational molecular parameters . . . . . . . . . . . . . . . . . . . . . . . . 135
6.1 Main contributions to the energy splitting of the 2s
1/2
and 2p
1/2
. . . . . . . . . 199
6.2 Lamb shift for hydrogen and other elements [Lamb] . . . . . . . . . . . . . . . . 200
6.3 2S 1S transitions. * r
2
d
r
2
p
= 3.820 07(65) fm
2
[Lamb] . . . . . . . . . . . . . 200
6.4 proton radius . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200
6.5 Hyperne splitting for hydrogen and other elements. . . . . . . . . . . . . . . . . 201
6.6 Ps transitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.7 Normal Zeeman eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 207
9
10 LIST OF TABLES
List of Figures
1.1 Classical versus Quantum . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
1.2 Quantum Mechanics hagiography . . . . . . . . . . . . . . . . . . . . . . . . . . 17
1.3 Real Measurements: histograms . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
1.4 Electron diraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
1.5 De Broglie waves versus particle . . . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.6 Time evolution of a wavepacket. . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.7 : Transmission and reection coecients for the rectangular potential step . . . 29
1.8 Transmission and reection coecients for the rectangular potential barrier.
Ramsauer and Tunnel eect . Negative resistance in the tunnel diode. . . . . . . 31
1.9 STM pictures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33
1.10 Finite width potential barrier. T as a function of x for c = 1, 10, and 50.
Numerical solution to eq. (1.40) for the same values of c. . . . . . . . . . . . . . 35
1.11 Harmonic oscillator wavefunctions for several the ground and several exited states 37
1.12 Figures corresponding to the 1D exercises. Colella experiment. semiinnite
well. Symmetric nite well. Odd and even wave function. Two semiharmonic
oscillator well. Diracs comb. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42
1.13 Finite well roots . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
2.1 Perfect spherical bag spectra 2a
2
E
nl
= x
2
nl
, with n
2S+1
L
J
. . . . . . . . . . . . 68
2.2 Finite spherical bag spectra E
nl
/V
0
, with c = 15 and n
2S+1
L
J
. . . . . . . . . . . 71
2.3 Isotropic harmonic oscillator spectra E
nl
= (2n + l + 3/2), with n
2S+1
L
J
. . . . 72
2.4 Hydrogenic atoms spectra 2E
nl
/(Z)
2
. . . . . . . . . . . . . . . . . . . . . . . 74
3.1 Quamtum jumps [Bell]. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99
3.2 Bell inequalities violation [Bell]. . . . . . . . . . . . . . . . . . . . . . . . . . . . 105
4.1 An innitesimal rotation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120
4.2 ClebshGordan coecients. Taken from PDG at wwww.lbl.gov . . . . . . . . . . 131
4.3 Raman spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134
4.4 SternGerlach experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137
4.5 NRM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144
5.1 Figures for the Perturbation theory . . . . . . . . . . . . . . . . . . . . . . . . . 163
5.2 GeigerNuttal law . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 167
11
12 LIST OF FIGURES
5.3 Figures for the exercises of Perturbation theory . . . . . . . . . . . . . . . . . . 176
6.1 Schematic representation of the energy levels of hydrogenic atoms, in the Bohrs,
Fine structure, Lamb shift, hyperne energy approximations. n
2S+1
L
J
. . . . . . 197
6.2 H
e
+
42. 1934 Fermi, rst QFT of Weak Interactions .
43. 1935 Yukawa , rst QFT of Strong Interactions.
44. 1947 Transistor . Bardeen, Brattain.
45. 1949 LambRetherford experiment. EM elds are quantized too.
46. 1954 C. Townes and A. Schawlow invented the maser
47. 1950s QED Theory by Tomonaga, Feynmann, Schwinger, etc. to explain the Lamb
Retherford experiment. Quantum Field Theory. Renormalization.
18 CHAPTER 1. SCHR
1
2m
2
x
2
+ V (x)
_
(1.1)
1.2.1 Linearity, Superposition principle
The Schr odinger Equation is linear, so a linear combination of solutions =
i
is a
new solution, given that all the
i
are solutions. Another name of the linearity property is
the superposition principle. Notice this condition does not hold for macroscopic collisions, for
example.
1.2. GENERAL PROPERTIES OF THE SCHR
ODINGER EQUATION 19
1.2.2 Time Independent Schr odinger Equation
In the case the Potential energy is time independent the Schrodinger equation is separable:
1. its solutions can be written as (t, x) = (t)(x).
(a) This general solution can be replaced into the Schr odinger Equation to obtain that
E = [
1
2m
2
x
2
+ V (x)] = H(x), i
t
(t) = E(t) (1.2)
(b) The rst is the Time independent Schrodinger Equation, and the second describes
the time dependence that can be obtained easily to have the general solution as
(t, x) = (x) exp[iEt] (1.3)
2. Given than in general the Time independent admits many solutions:
H(x)
n
(x) = E
n
n
(x) (1.4)
3. and using the superposition principle one has that the general solution can be written as
(t, x) =
n
a
n
exp[iE
n
t]
n
(x) (1.5)
4. Given that most of the potentials are time independent our main task is to nd out all
the solutions to the Time independent Schrodinger Equation one use eq. (1.5) to have
the general time evolution of the complete solution.
1.2.3 Boundary Conditions
The general Boundary conditions are
1. If the potential (continuous or not) is nite the wavefunction and its derivative are con
tinuous .
2. If the potential has an innite discontinuity the wavefunction is continuous but not its
derivative.
20 CHAPTER 1. SCHR
(x + )
(x ) = 2m
_
x+
x
dx (V E) [2m(V E)]
x+/2
[2m(V E)]
x/2
= lim
0
[2mV ]
x+/2
[2mV ]
x/2
(1.6)
(a) If the potential is nite on both sides of x the right side vanishes when 0 and
is continuous.
(b) If the potential is not nite on at least one side the right hand side is not dened
and
is discontinuous.
(c) If the wavefunction is discontinuous, its derivative gets a higher order discontinuity (a
Diracs delta) and it is not possible to satisfy the SE at x. Therefore the wavefunction
is continuous even if the potential is not.
1.2.4 Interpretation, Probability conservation
1. According to Bohrs interpretation (Copenhagen school) the density of probability is given
by = [[
2
.
2. It can be shown that it obeys a continuity equation and it is conserved (for a real potential
energy):
t
=
t
+
t
=
i
2m
[
2
2
] i(V V
) =
i
2m
[
t
= J, J =
i
2m
[
] =
1
m
Im[
] (1.7)
3. thus for V
n
).
1.2. GENERAL PROPERTIES OF THE SCHR
ODINGER EQUATION 21
3. For the general case QM (the Schrodinger Equation) can only predict the expectation
value, and higher momenta of the operators, that can be compared with the respective
expectation value of the repetitive measurement
< O >
QM
_
d
3
x
O
_
d
3
x[[
2
< O >
exp.
n
N
n
n
N
n
(1.8)
where N
n
is the number of times
n
is obtained in the measurements.
4. This is shown for two particular cases in the histograms of the g. 1.3.
5. In general when the system is in the state =
n
a
n
n
one obtains
< O >
QM
n
[a
n
[
2
i
[a
n
[
2
(1.9)
6. so the predicted probability of been in the state
n
(and therefore of obtain
n
, when
measuring O) if one has is [a
n
[
2
/
i
[a
n
[
2
= [a
n
[
2
if the state is normalized to one.
7. Notice that in the particular case we have an eigenstate,
n
the prediction is that one
measures
n
with probability one!.
1.2.6 Heisenberg Uncertainty principle
1. In general for all waves is valid that kx 1
2. f f
rms
_
(f < f >)
2
) =
_
< f
2
> < f >
2
3. Matter waves are not the exception and one has that
px 1 (1.10)
4. so it is not possible to know simultaneously the position and the momenta of a given
particle with an accuracy greater than that given by eq. (1.10)
22 CHAPTER 1. SCHR
e
+
. M
2
= E
2
p
2
= (E
1
+ E
2
)
2
(p
1
+ p
2
)
2
1.2.7 Correspondence Principle and Ehrenfest Theorem
Quantum Mechanics becomes Classical Mechanics when
1. a typical Action (A pR) is much more greater that .
2. This was enounced by Bohr as the Correspondence Principle.
3. it is guarantied by the Ehrenfest Theorem (1927):
d < x >
dt
=
1
m
< p >,
d < p >
dt
= < V > (1.11)
4. Decoherent waves becomes Classical Physics
Wave particle
Quantum Classical
Schr odinger E. Minimal Action
Wave Eq. Fermat Principle
Physical Optics Geometrical Optics
1.3. SIMPLE POTENTIALS 23
1.3 Simple Potentials
1.3.1 Free Particle (Plane Wave)
In this case the Schrodinger Equation becomes, and its solution
H =
1
2m
2
x
2
(x) = i
t
= Ae
i(kxt)
(1.12)
1. with = E = k
2
/2m = p
2
/2m = (2/)
2
/2m,
2. In the relativistic case = E =
_
m
2
+ p
2
=
_
m
2
+ (2/)
2
and E = m + K.
=
2
m
1
_
(E/m)
2
1
C
_
(E/m)
2
1
_
2/E for ultrarelativistic case E >> m
2/mv = 2/
3mk
B
T.
(d) For the case T, v 0 !, and QM eects are observable like in the case of the
BoseEinstein codensate (BEC) [BEC]
3. The density of probability is = [A[
2
, the particle can be anywhere, with the same
probability.
4. The ux of probability is constant too: J = (k/m)[A[
2
= v, where v = k/m is the
classical speed of the particle.
5. Notice the phase velocity is v
p
= /k = v/2, that is dierent from the classical one,
6. but the group velocity v
g
= /k = v corresponds to the classical one.
7. The expectation values of the main operators are
< p > =
_
dx
(x)[i/x](x)
_
dx[(x)[
2
= k
< E > =
_
dx
(x)H(x)
_
dx[(x)[
2
=
k
2
2m
(1.14)
24 CHAPTER 1. SCHR
dx
k
(x)
k
(x) = (k k
) (1.15)
and
k
(x) = e
ikx
/
2
10. Up to an overall phase, without physical meaning (Gauge invariance) that we take equal
zero.
11. Sometimes is convenient use the so called momentum space, obtained by simply taken
the Fourier transform of the wavefunction (equivalently, decomposing the wavefunction
in plane waves):
(p)
_
d
3
xe
ipx
(x), (x)
_
d
3
p
(2)
3
e
ipx
(p) (1.16)
12. For a plane wave one has that
k
(k
) = (k k
).
13. It can be shown that is equivalent to take expectation values in both spaces: conguration
or momenta (see exercises).
14. A very interesting case is obtain when the kinetic energy goes to zero and the wavefunction
becomes very large: = 2/
a
e
x
2
/2a
2
+ik
0
x
(k, t = 0) =
_
2
a e
a
2
(kk
0
)
2
/2
(1.17)
in the coordinate and momentum spaces.
2. One can see that < x >= 0, < p >= k
0
, < x
2
>= a
2
/2 and < p
2
>= k
2
0
+ 1/2a
2
, so
x = a/
2 and p = 1/
2 a.
3. The uncertainty principle is satised: xp = 1/2.
4. Its time evolution can be obtained if one remember that each momenta component has a
well dened energy (E = p
2
/2m) and its time evolution is governed by the time dependent
Schr odinger Equation (1.5).
5. The complete wavefunction is given by its superposition:
(x, t) =
_
dk
2
(k)e
i(E
k
tkx)
=
_
2
a
2
_
dk exp
_
a
2
2
(k k
0
)
2
i
_
k
2
t
2m
kx
__
=
1
_
a(1 + it/ma
2
)
exp
_
1
1 + it/ma
2
_
x
2
2a
2
ik
0
_
x
k
0
t
2m
___
=
1
_
a(1 + i)
exp
_
1
2
( 2ic)
2
1 + i
2c
2
_
[(x)[
2
=
1
a
_
(1 +
2
)
exp
_
(1.18)
with = x/a, = ( 2c)/
1 +
2
, = t/T, T = ma
2
and c = k
0
a/2 = k
0
T/2ma =
vT/2a.
6. One can obtain that < x >= 2ac = vt, < x
2
>= [1 + (1 + 8c
2
)
2
]a
2
/2 and x =
a
_
(1 +
2
)/2.
7. Similarly < p >= 2c/a = k
0
, < p
2
>= [1 + 8c
2
]/2a
2
, so < E >= [1 + 8c
2
]/4ma
2
.
8. Finally p = 1/a
2 and xp = (1/2)
1 +
2
.
28 CHAPTER 1. SCHR

2
x
Figure 1.6: Time evolution of a wavepacket.
1.3.2 Step Potential
E > V
0
case
In this case let us consider a wave of amplitude A and energy E (k =
=
_
2m(E V
0
) the solution is
I
= Ae
ikx
+ Be
ikx
,
II
= Ce
ik
x
+ De
ik
x
(1.19)
The boundary conditions for a particle (wave) coming from the right that D = 0, and from
the continuity of the wavefunction and its derivative
A + B = C, k(A B) = k
C (1.20)
that can be solved to obtain
B/A =
k k
k + k
C/A = 2k/(k + k
) (1.21)
Given that the ux of probability is J
I
= ([A[
2
[B[
2
)(k/m) and J
II
= [C[
2
(k
k + k
_
2
=
_
x
x 1
x +
x 1
_
2
, T =
4kk
(k + k
)
2
=
4
_
x(x 1)
_
x +
x 1
_
2
(1.22)
with x = E/V
0
and R + T = 1: One of two possibilities has to happens, the particle is
reected or cross the step. In Optics, for normal incidence R = (1 n)
2
/(1 + n)
2
, where n is
the refraction index. Notice that energy is conserved. If one sends N particles NRE energy is
reected and the rest, NTE is transmitted.
E < V
0
case
The solution in this case is
I
= Ae
ikx
+ Be
ikx
,
II
= Ce
x
(1.23)
The boundary conditions are (k =
2mE and =
_
2m(V
0
E)), now
A + B = C, ik(A B) = C (1.24)
that can be solved to obtain
B/A =
k i
k + i
C/A = 2k/(k + i) (1.25)
Given that the ux of probability is J
I
= ([A[
2
[B[
2
)(k/m) and J
II
= 0. In this way R = 1
and T = 0, the wave is totally reected.
1.3.3 Potential Barrier (Ramsauer and Tunnel eects)
In this case the potential is V
0
inside the region 0 < x < a and vanish outside.
30 CHAPTER 1. SCHR
I
= Ae
ikx
+ Be
ikx
,
II
= Ce
ik
x
+ De
ik
x
,
III
= Ee
ikx
(1.26)
with k =
2mE and k
=
_
2m(E V
0
). Given that the potential is nite the wavefunction
and its derivative have to be continuous everywhere, in particular at x = 0 and x = a, so
A + B = C + D, k(A B) = k
(C D)
Ce
ik
a
+ De
ik
a
= Ee
ika
, k
_
Ce
ik
a
De
ik
a
_
= kEe
ika
(1.27)
Given that we are interested in the reected and transmitted waves one should eliminate
the amplitudes C and D to obtain two remaining equations whose solution is
B
A
=
(1 n
2
) sin(k
a)
(1 + n
2
) sin(k
a) + 2incos(k
a)
E
A
=
2inexp(ika)
(1 + n
2
) sin(k
a) + 2incos(k
a)
(1.28)
with n = k
/k = /
B
A
2
=
(1 n
2
)
2
sin
2
(k
a)
(1 + n
2
)
2
sin
2
(k
a) + 4n
2
cos
2
(k
a)
T =
E
A
2
=
4n
2
(1 + n
2
)
2
sin
2
(k
a) + 4n
2
cos
2
(k
a)
=
_
1 +
sin
2
(c
x 1)
4x(x 1)
_
1
(1.29)
with x = E/V
0
1, c =
2mV
0
a
2
and again R + T = 1.
1. From the graph one can see that for c
x 1 = l (equivalently
a = l, so again
)]
1
(Zhan p.517).
1.3. SIMPLE POTENTIALS 31
Figure 1.8: Transmission and reection coecients for the rectangular potential barrier. Ram
sauer and Tunnel eect . Negative resistance in the tunnel diode.
E < V
0
case, Tunnelling
Now the solution can be written as
I
= Ae
ikx
+ Be
ikx
II
= Ce
x
+ De
+x
III
= Ee
ikx
(1.30)
with k =
2mE and k
= i = i
_
2mV
0
(1 x) (x < 1). The new solution can be obtained
just by replacing k
B
A
2
=
(1 + n
2
i
)
2
sinh
2
(a)
(1 n
2
i
)
2
sinh
2
(a) + 4n
2
i
cosh
2
(a)
T =
E
A
2
=
4n
2
i
(1 n
2
i
)
2
sinh
2
(a) + 4n
2
i
cosh
2
(a)
=
_
1 +
sinh
2
(c
1 x)
4x(1 x)
_
1
exp
_
2
_
a
0
dx
_
2m[V (x) E]
_
(1.31)
with n
i
= /k.
1. The latest expression can be used for non rectangular barriers and it is going to be
obtained later on bay using the WKB method in chapter 5.
2. Tunnelling is observed in many systems like when wounded wires, become oxidize. In this
case electrons are still able to go from one to the other wire even if they do not have the
needed energy.
32 CHAPTER 1. SCHR
2mE. Given that the wavefunction has to be continuous at both walls of the
well one has that (0) = 0, so B = A. In order to satisfy the boundary condition at wall in
x = a k has to be quantized: k = n/a with n is an integer. Normalizing the wavefunction the
nal result is
n
(x) =
_
2
a
sin
_
nx
a
_
E
n
=
n
2
2
2ma
2
(1.33)
1. Notice how the Sturm Theorem is obtained: the number of nodes of the wavefunction is
equal to n: zero for the ground state, one for the rst exited one, and so on.
2. In the case the well in placed between a/2 < x < a/2 the solution is (x x a/2))
n
(x) =
_
2
a
_
sin (nx/a) for n = 2, 4, 6,
cos (nx/a) for n = 1, 3, 5,
(1.34)
The energy spectra is the same.
1.3. SIMPLE POTENTIALS 33
Figure 1.9: Scanning tunnelling microscope (STM) picture of a stadiumshaped quantum
corral made by positioning iron atoms on a copper surface. This structure was designed for
studying what happens when surface electron waves in a conned region. Courtesy, Don Eigler,
IBM. Quantum Mirage: A STM microscope was used to position 36 cobalt atoms in an elliptical
quantum corral. Electron waves moving in the copper substrate interact both with a magnetic
cobalt atom carefully positioned at one of the foci of the ellipse and apparently with a mirage
of another cobalt atom (that isnt really there) at the other focus. (Courtesy of IBM.) reported
by: Manoharan et al., in Nature, 3 Feb. 2000 Electron Waves in a Plane: In this scanning
tunneling microscope (STM) image, electron density waves are seen to be breaking around two
atomsized defects on the surface of a copper crystal. The resultant standing waves result from
the interference of the electron waves scattering from the defects. Courtesy, Don Eigler, IBM.
ADN
34 CHAPTER 1. SCHR
B
A
2
=
(1
2
)
2
sin
2
(k
a)
(1 +
2
)
2
sin
2
(k
a) + 4
2
cos
2
(k
a)
T =
_
1 +
sin
2
(c
x + 1)
4x(x + 1)
_
1
(1.35)
with k =
2mE, k
=
_
2m(E + V
0
) and = k
I
= Ae
x
,
II
= Be
ikx
+ Ce
ikx
,
III
= De
x
(1.36)
with =
2mE and k =
_
2m(V
0
+ E). Boundary conditions imply
A = B + C A = ik(B C)
Be
ika
+ Ce
ika
= De
a
ik
_
Be
ika
Ce
ika
_
= De
a
(1.37)
This a homogenous system of linear equations. There exists nontrivial solutions only if
1 1 1 0
ik ik 0
0 e
ika
e
ika
e
a
0 ike
ika
ike
ika
e
a
1 1 1 0
1 i i 0
0 e
ika
e
ika
1
0 ie
ika
ie
ika
1
= 0 (1.38)
1.3. SIMPLE POTENTIALS 35
Figure 1.10: Finite width potential barrier. T as a function of x for c = 1, 10, and 50.
Numerical solution to eq. (1.40) for the same values of c.
with = k/. The determinant can be computed to get
(1 i)
2
e
ika
(1 + i)
2
e
ika
= (1
2
) sin(ka) + 2 cos(ka) = 0 (1.39)
To obtain the equation, whose solutions determinate the energy levels
tan(ka) =
2
1
2
, tan
_
c
1 x
_
=
_
x(1 x)
x 1/2
, sin[c
1 x] = 2
_
x(1 x) (1.40)
with x = E/[V
0
[ (0, 1) and c =
_
2m[V
0
[a
2
.
The number of possible states depends of the constant c: for large c one has many levels
while if c is small only few are allowed. If c << 1 one obtain that at least one solution there
exist and can be approximated as x c
2
/4. This is shown in Fig 1.10.
c x
n
1 0.19
10 0.3, 0.81
50 0.005, 0.022, 0.112, 0.178, 0.234,
(1.41)
Physical examples are the deuterium whose potential can be approximate by a nite well
and has only one level. More examples are the MIT bag model for quarks inside the hadrons
and a free electron inside an quantum wire.
36 CHAPTER 1. SCHR
(a)(x a)
2
=
1
2
k(x a)
2
=
1
2
m
2
(x a)
2
(1.42)
The Sch odinger Eq. can be written in this case
d
2
dx
2
+ [2mE m
2
2
x
2
] = 0,
d
2
d
2
+ [
2
] = 0, 4z
d
2
dz
2
+ 2
d
dz
+ [ z] = 0 (1.43)
with = 2E/ = 2mE/
2
,
2
= m, = x and z =
2
. This is the Weber equation.
In the limit of , Aexp[z/2], so one can try the solution of the form =
exp[z/2]f(z) to get for f
zf
+
_
1
2
z
_
f
1
4
f = 0
f = AM(a, 1/2, z) + Bz
1/2
M(a + 1/2, 3/2, z)
M(a, c, z) = 1 +
a
c
z
1!
+
a(a + 1)
c(c + 1)
z
2
2!
n=0
(a)
n
(c)
n
z
n
n!
(1.44)
with a = (1)/4 and M is the Conuent Hypergeometric function B.3.4. The asymptotic
behavior is (Arken 757) for [z[ is:
M(a; c, z)
(c)
(a)
e
z
z
ac
_
1 +
(1 a)(c a)
1!z
+
_
(1.45)
Given that the asymptotic behavior of the wavefunction is
= exp[z/2]f(z) exp[z/2]z
a1/2
(1.46)
This condition is unphysical so the boundary condition at innity force us to end the series.
This is possible in two ways: First a = l and B = 0 so
l
(x) = D
l
exp[z/2]M(l; 1/2, z), E
l
= (2l + 1/2) (1.47)
The second possibility is a + 1/2 = j and A = 0 for
1.4. HARMONIC OSCILLATOR (1D) 37
1,5 1,0 0,5 0,0 0,5 1,0 1,5
0,0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
0,8
2 1 0 1 2
0,0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
3 2 1 0 1 2 3
0,0
0,1
0,2
0,3
0,4
0,5
5 4 3 2 1 0 1 2 3 4 5
0,0
0,1
0,2
0,3
0
1
2
1
0
Figure 1.11: Harmonic oscillator wavefunctions for several the ground and several exited states
j
(x) = E
j
exp[z/2]z
1/2
M(j; 3/2, z), E
j
= [(2j + 1) + 1/2] (1.48)
In both cases the resulting polynomials are Hermite B.4.6 ones:
H
2l
() = (1)
l
(2l)!
l!
M(l; 1/2,
2
), H
2j+1
() = (1)
j
2(2j + 1)!
j!
M(j; 3/2,
2
) (1.49)
So both cases can be combined as:
n
(x) =
_
2
n
n!
exp[
2
/2]H
n
() N
n
exp[
2
/2]H
n
E
n
= (n + 1/2) n = 0, 1, 2 . . . (1.50)
The energy levels are equally spaced. It should be noticed that the ground state does not
correspond to a zero energy, due to the Heisenberg principle (< p >=< p
2
>=< 2mE >= 0).
This is the zero point energy. It is interesting to compare the quantum and classical density
of probability.
The classical one is given by the time spend by the particle in an interval x, 2t over the
period: P
class
= 2t/T (the factor two is because the particle cross the same interval twice
in a given period). Given than v = x/t then
class
= P
class
/x = 2/vT. To express it as
a function of the position one can use the fact that
E =
m
2
v
2
+
1
2
m
2
x
2
=
1
2
m
2
A
2
= (n + 1/2) (1.51)
and x = Asin(t), so v
2
= (A)
2
cos
2
(t) = (A)
2
(1 x
2
/A
2
). Thus the nal expression is
38 CHAPTER 1. SCHR
class.
=
1
A
2
x
2
=
_
2(n + 1/2)
2
(1.52)
Practical applications are in Raman Spectroscopy [5], where it corresponds to the vibrational
part of the molecular spectra, as it will be seen later [11, 12].
1.5. EXERCISES, SCHR
C
_
(E/m)
2
1
_
2/E for ultrarelativistic case E >> m
2/mv = 2/
3mk
B
T.
case m
C
1/p 1/p
e
p
n
(p) =
_
d
3
xd
3
x
(x
(x)
_
d
3
p
(2)
3
p
n
e
ip(xx
)
=
_
d
3
xd
3
x
(x)
(x)[i
x
]
n
_
d
3
p
(2)
3
e
ip(xx
)
=
_
d
3
xd
3
x
(x
[(i)
n
(x)]
_
d
3
p
(2)
3
e
ip(xx
)
=
_
d
3
x(x)
[i]
n
(x) (1.54)
where integration by parts was done and the Diracs delta representation was used. Notice
that consistency with the operator p = i interpretation is obtained.
3. Obtain, for the gaussian wavepacket x, x
2
, x and the corresponding quantities for p,
etc. Hint: O = [< O
2
> < O >
2
]
1/2
A:
< x > =
a
_
(1 +
2
)
_
d exp[
2
], < x
2
>=
a
2
_
(1 +
2
)
_
d
2
exp[
2
]
=
2ic
1 + i
,
2
2
=
_
1
1 + i
( 2ic)
2
(1 + i)
2
_
< p
2
> =
1
a
2
_
2
_
=
1
a
2
(1 + i)
2
_
1 + i + 4c
2
+ 4ica
_
d[[
2
a
_
d
2
[[
2
_
=
1
a
2
(1 + i)
2
_
1 + i + 4c
2
+ 4ica
2c
a
a
1 + 8c
2
2a
2
_
=
1 + 8c
2
2a
2
(1.55)
4. Draw the time evolution of density of probability for the gaussian wavepacket.
5. Workout the uncertainty principle for the gaussian wavepacket in the cases where a
0,
A: In the rst case the position of the particle become well determinates, a (x 0) but
it momenta is completely unknown: p = :
[(x)[
2
(x vt), lim
a0
1
a
exp[x
2
/a
2
] = (x) (1.56)
6. Estimate the time needed to spread out a macroscopic and a microscopic wavepacket, like
the gaussian case (see Townsend p. 164).
A: The time needed to have a signicant spread out of the gaussian wave packet is
T = ma
2
= ma
2
/c
2
. For a microscopic object like an electron conned in a distance of
1.5. EXERCISES, SCHR
dy exp
_
im
2t
(x y)
2
_
(y, 0) (1.57)
8. Repeat what was done in the case of the Gaussian for the square wavepackets.
A: In this case [Gradshteyn 3.953, 3.462, 9.253, Abramowitz 297]
(x, t) =
_
m
2it
_
a
0
dy exp
_
im
2t
(x y)
2
_
A =
A
i
_
m/2t x
m/2t (xa)
dz
_
cos z
2
+ i sin z
2
=
A
2i
_
C(
_
m/4t x) + iS(
_
m/4t x) C(
_
m/4t (x a)) iS(
_
m/4t (x a))
_
(1.58)
where C(x) and S(x) are the Fresnel integrals.
9. Obtain the group and phase velocity for a relativistic particle. Is there any dispersion in
the wavepacket?.
A: R: Given that E = and p = k, v
f
= /k = E/p =
_
m
2
+ p
2
/p = m/mv
c
= 1/v
c
.
v
g
= d/dk = d
m
2
+ k
2
/dk = p/
_
m
2
+ p
2
= v
c
and v
f
v
g
= 1
10. Workout the quarkonia (two quarks of mass m interacting with a potential V = Fr)
spectra by using the Bohr model.
11. A neutron interferometer is constructed as shown in the Fig. Neutrons travel from A
to D, through the paths ABD and ACD to form an interference pattern in D. If the
interferometer is tilded by an angle around the axis AC, nd the phase dierence of the
two rays (Sakurai MQM version of Colella, Overhauser and Werner experiment [8]).
A:
= (k
u
k
d
)L
2
= k
d
_
k
u
k
d
1
_
L
2
= k
d
(p
u
/p
d
1)L
2
= k
d
L
2
_
_
[2m(E mgL
1
sin )]/2mE 1
_
= k
d
L
2
_
_
1 mgL
1
sin /E 1
_
k
d
L
2
(mgL
1
sin /2E) =
mgL
1
L
2
sin
2
2
(1.59)
42 CHAPTER 1. SCHR
I
= Ae
ik
x
+ Be
ik
x
,
II
= Ce
x
(1.62)
with k
=
_
2m(E + V
0
) and =
) = (a
+
) and
(a
) =
(a
+
) so B = A and
2iAsin(k
a) = Ce
a
, 2ik
Acos(k
a) = Ce
a
(1.63)
thus the energy levels are obtained from the solutions of the equation tan(k
a) = k
/
or
x tan(c
1 + x) =
1 + x (1.64)
with c
2
= 2mV
0
a
2
and x = E/V
0
. Notice that x = 1 is always a solution, independently
of the value of c. However it corresponds to no particle at all (A = B = C = k
= 0).
Thus no physical (with a particle inside) exists if c is too small). The solutions for several
values of c are given in the following table
44 CHAPTER 1. SCHR
I
= Asin(k
x),
II
= Ce
ikx
+ De
ikx
(1.65)
where now k =
a) = Ce
ika
+ De
ika
, k
Acos(k
a) = ik
_
Ce
ika
De
ika
(1.66)
and solving for the reected wave
D = Ce
2ika
(ik/k
) tan(k
a) 1
(ik/k
) tan(k
a) + 1
(1.67)
and T = [D[
2
/[C[
2
= 1 as it should be.
16. For the potential of the form V (x) = (V
0
/2m)(x) nd out the reection coecient. Hint:
Obtain the boundary condition at x = 0.
A: The wavefunction is ( with k =
2mE)
(x) =
_
Ae
ikx
+ Be
ikx
for x < 0
Ce
ikx
for x > 0
(1.68)
The boundary conditions at x = 0 are (0
) = (0
+
) and
(0
+
)
(0
) = V
0
(0), so
A + B = C, ik(A B) = ikC + V
0
C, B =
V
0
A
V
0
+ 2ik
, C =
2ikA
V
0
+ 2ik
R =
[B[
2
[A[
2
=
1
1 + 4(k/V
0
)
2
, T =
[C[
2
[A[
2
=
4(k/V
0
)
2
1 + 4(k/V
0
)
2
. (1.69)
As expected R+T = 1. If the potential is very strong (V
0
) then R 1 and T 0,
the whole wave is reected.
1.5. EXERCISES, SCHR
(0
+
)
(0
) = V
0
(0).
A: The Schr odinger eq., at x ,= 0 is
(x) =
2
(x) ( =
(x) =
2
(x) ( =
I
(x) = Ae
x
,
II
(x) = Be
x
I
(x) + Ce
x
,
III
(x) = De
x
(1.72)
The wavefunction is continuous at x = a/2 and its derivative satisfy the condition
((a/2)
+
)
((a/2)
) = V
0
(a/2) so
e
a/2
A e
a/2
B e
a/2
C = 0
e
a/2
A + e
a/2
B e
a/2
C = (V
0
/)e
a/2
A
e
a/2
B + e
a/2
C = e
a/2
D
e
a/2
B + e
a/2
B = e
a/2
D + (V
0
/)e
a/2
D (1.73)
In order to have a novanishing solution one has to have
46 CHAPTER 1. SCHR
e
a/2
e
a/2
e
a/2
0
e
a/2
[1 + V
0
/] e
a/2
e
a/2
0
0 e
a/2
e
a/2
e
a/2
0 e
a/2
e
a/2
(1 + V
0
/)e
a/2
= 0
[1 + V
0
/]z
2
(V
0
/)z + 1 = 0
z e
a
=
V
0
/
_
(V
0
/)
2
4(1 + V
0
/)
4[1 + V
0
/]
(1.74)
20. Finite symmetric well (1D) , with potential V (x) = V
0
([x[ a/2) (Schi 40)
V (x) =
_
0 if [x[ < a/2
V
0
if [x[ > a/2
(1.75)
A: The solution can be written as, given the physical conditions at innity
I
= Ae
x
,
II
= Bcos(kx) + C sin(kx),
III
= De
x
(1.76)
with =
_
2m(V
0
E) and k =
e
a/2
cos(ka/2) sin(ka/2) 0
e
a/2
k sin(ka/2) k cos(ka/2) 0
0 cos(ka/2) sin(ka/2) e
a/2
0 k sin(ka/2) k cos(ka/2) e
a/2
= 0 (1.77)
where the last condition was obtained in order to have a novanishing solution. The
determinant can be written as
1 cos(ka/2) sin(ka/2) 0
1 sin(ka/2) cos(ka/2) 0
0 cos(ka/2) sin(ka/2) 1
0 sin(ka/2) cos(ka/2) 1
2
+
2
= c
2
/4 = 2mV
0
a
2
/4 (1.82)
Both equations agree with eq. (1.78). For small c there is always a solution, the even
one. For the case in witch c
2
the solutions are, as it should be
tan(ka/2) = and ka/2 =
2n 1
2
,
cot(ka/2) = and ka/2 = n, (1.83)
donde n = 1, 2, 3, . . ., or ka = n. The spectra is then E
n
= (n/a)
2
/2m.
21. Obtain the corresponding Schrodinger integral equation for the nite symmetric well (1D),
with potential V (x) = V
0
([x[ a)
A: The fourier transform of the potential is V (k) = (2V
0
/k) sin(ka/2) and the ISE is:
q
2
2m
(q) + 2V
0
_
dk
2
sin((q k)a/2)
q k
(k) = E(q) (1.84)
48 CHAPTER 1. SCHR
2
cos
_
(n l)x
a
_
+
ax
(n l)
sin
_
(n l)x
a
_
(l l)
_
x=a
x=0
=
a
2
nl
+
a
2
_
(1)
nl
1
(n l)
2
(1)
n+l
1
(n + l)
2
_
x
2
nl
=
2
a
_
a
0
dx sin
_
nx
a
_
x
2
sin
_
lx
a
_
=
1
a
_
x
3
3
nl
+
2a
2
x
(n l)
2
2
cos
_
(n l)x
a
_
+
_
ax
2
(n l)
2a
3
(n l)
3
3
_
sin
_
(n l)x
a
_
(l l)
_
x=a
x=0
=
a
2
3
nl
+
2a
2
2
_
(1)
nl
(n l)
2
(1
nl
)
(1)
n+l
(n + l)
2
_
(1.85)
so (x)
n
= a
_
1/12 1/2
2
n
2
. Similarly
p
nl
=
2
a
_
a
0
dx sin
_
nx
a
_
_
id
dx
_
sin
_
lx
a
_
=
2il
a
2
_
a
0
dx sin
_
nx
a
_
cos
_
lx
a
_
=
il
a
_
(1)
nl
1
(n l)
2
+
(1)
n+l
1
(n + l)
2
_
p
2
nl
=
2
a
_
a
0
dx sin
_
nx
a
_
_
id
dx
_
2
sin
_
lx
a
_
=
2(l)
2
a
3
_
a
0
dx sin
_
nx
a
_
sin
_
lx
a
_
=
_
n
a
_
2
nl
(1.86)
so p = n/a. The uncertainty principle is in this case xp = n
_
1/12 1/2
2
n
2
.
On another side < E >=< K > + < V (x) >= (n/a)
2
/2m (given that V (x) = 0).
24. For an innite potential well Plot [(x)[
2
and [(p)[
2
, for n = 1 and n = 10.
25. A particle inside a perfect well of side a is in the ground state, suddenly the well expands
to have a side of 2a. What is the probability of nding the particle in the rst excited
state?
1.5.4 Harmonic Oscillator
26. Show that E > 0, using the Heisenberg uncertainty Principle (Zettili 252, Landau 83).
50 CHAPTER 1. SCHR
2
H
n
()xH
m
()dx =
N
n
N
m
2
2
_
2
H
n
() [H
m+1
() + 2mH
m1
()] d
=
N
n
N
m
2
2
[
n,m+1
+ 2m
n,m1
] 2
n
n! =
1
2
_
n
n,m+1
+
n + 1
n,m1
_
(1.87)
x
n,l
=
1
2
_
l + 1
n,l+1
+
l
n,l1
_
p
n,l
=
i
2
_
l + 1
n,l+1
l
n,l1
_
x
2
n,l
=
1
2
2
_
_
(l + 1)(l + 2)
n,l+2
+ (2l + 1)
n,l
+
_
l(l 1)
n,l2
_
p
2
n,l
=
2
2
_
_
(l + 1)(l + 2)
n,l+2
(2l + 1)
n,l
+
_
l(l 1)
n,l2
_
(1.88)
and xp =
_
[< x
2
> < x >
2
] [< p
2
> < p >
2
] =
_
< x
2
>< p
2
> = n + 1/2.
< E > =
n
e
En/k
B
T
E
n
n
e
En/k
B
T
=
Z, =
1
k
B
T
, Z =
n
e
En
=
1
e
/2
e
/2
< E > =
2
coth
_
2k
B
T
_
k
B
T
_
1
1
2
_
k
B
T
_
2
+
_
(1.89)
when T , in agreement with the equipartition theorem. If T 0 then < E >/2.
28. Obtain < V (x) > and < K(x) >, the average potential and kinetic energy for a given
state in the cases of a pure state [n > and for the general one.
A:
< V >
n
=
_
n
m
2
2
x
2
n
_
=
m
2
2
x
2
nn
=
m
2
2
[(2n + 1)/2
2
] =
1
2
(n + 1/2) =
1
2
E
n
< K >
n
=
_
n
p
2
2m
n
_
= p
2
nn
/2m =
2
(2n + 1)/4m = (1/2)(n + 1/2) =
1
2
E
n
(1.90)
so < V >
n
=< K >
n
= (n + 1/2)/2.
29. Obtain H
nl
= p
2
nl
/2m + (m
2
/2)x
2
nl
= (n + 1/2)
nl
30. For a Harmonic Oscillator Plot [(x)[
2
and [(p)[
2
, for n = 1 and n = 10.
1.5. EXERCISES, SCHR
4
i=1
a
i
i
.
Compute the energy of this state.
33. An oscillator is in the state = a
0
+ b
1
. Find xp.
A:
< x > =
_
a
e
it/2
< 0[ + b
e
3it/2
< 1[
x
_
ae
it/2
[0 > +be
3it/2
[1 >
[a[
2
+[b[
2
=
2Re (a
be
it
)
[[a[
2
+[b[
2
]
=
2 [a
b[
[[a[
2
+[b[
2
]
cos(t) (1.91)
that oscillates at the classical frequency!.
34. Show that a wave packet in a Harmonic oscillator potential moves as a whole at a frequency
equal to the classical one (Schi page?).
35. The molecule of CO has a natural frequency of CO:
0
= 2170 cm
1
1/ (1 cm
1
=
3 10
10
hz). Do the same for H
+
2
:
0
= 2297 cm
1
. H
2
:
0
= 4395 cm
1
, etc. From table
4.1,
(a) Compute the equivalent spring constant, and compare it with a typical one for a
lab. spring.
A: k = m
2
= m(2)
2
= 640 N/M, a macroscopic value!,
(b) the average size of the vibrations < x >
rms
and
x
rms
= (1/)
_
n + 1/2 =
_
(n + 1/2)/4mc = 0.06
A.
(c) What is the temperature need to be able to see the vibration and the rotation
spectra.
k
B
T = = 2c/ and c) T = 2c/k
B
= 2 10
34
3 10
8
/1.23 10
23
3325
o
K.
36. Compute the energy separation between adjacent levels is a typical macroscopical oscil
lator.
A: 10 sec
1
. E = = 2 = 6 10
34
10 = 0.6 10
32
J !.
37. Work out the harmonic oscillator in presence of an electric eld, in general:
V =
1
2
m
2
x
2
eEx + V
0
(1.92)
52 CHAPTER 1. SCHR
2
(x
1
x
2
)
2
(1.93)
1.5.5 Other Potentials
39. Solve the SE for the potential V = Fx (like the gravitational or electric constant elds.
For the experimental side see ref. [8]).
A: The SE is
_
1
2m
d
2
dx
2
+ Fx
_
= E,
_
d
2
d
2
_
= 0, = AAi() + BBi() (1.94)
where = (2mF)
1/3
(x E/F), the regular solution is Ai() while the irregular one is
Bi(), so B = 0. Ai and Bi are the Airy function (see the appendix B.3.5). There are
three interesting solutions. The free fall or continuous case where the energy can have
any value and the normalization constant can be obtained to be [A[
2
= (4m
2
/ F)
1/3
(Landau 88). A second possibility is obtained when the particle is not allowed to be in
region x < 0 (equally V (x < 0) = and V (x > 0) = Fx ). In this case the spectra is
given as
E
n
=
_
F
2
2m
_
1/3
x
n
(1.95)
where x
n
are the roots of the Airy function, Ai(x
n
) = 0 (see Appendix). see Fig. 14.a.
Finally a third possibility is obtained when the potential is V (x) = F[x[, the solution is
then
E
n
=
_
F
2
2m
_
1/3
z
n
(1.96)
where z
n
= are the roots of the rst derivative of the Airy function, Ai
(y
n
) = 0 for
an even wavefunction and z
n
= x
n
when the wavefunction is odd (see Fig. 14.b). A
semiclassical treatment of this problem is given in ref. [3] and it provides a crude model
for the interquark potential abe to take into account quark connement as well as the
Quarkonium spectra.
1.5. EXERCISES, SCHR
+ (1/2 z)
+ (/2) = 0 (1.98)
with the solution, satisfying the boundary conditions at x
= AU(/2, 1/2, z) exp[z/2] (1.99)
with dierent constants for x positive and negative. The boundary conditions, taking
into account parity become
i
(x + a) = C
i1
1
(x) + C
i2
2
(x) =
i
(x)
(x + a) = d
1
1
(x) + d
2
2
(x) = a
1
1
(x + a) + a
2
2
(x + a)
= [a
1
C
11
+ a
2
C
21
]
1
(x) + [a
1
C
12
+ a
2
C
22
]
2
(x) = (x) (1.101)
The last equality has a novanish solution only if
C
11
C
21
C
12
C
22
= 0
has two solution
1,2
and the Wroskian of the two eigensolutions W(
1
,
2
) is from one
side periodic and as it is well known (see pe Arfken [4]) is constant. Therefore
W(x + a) =
1
2
W(x) = const. (1.102)
so
1
2
= 1. Given that (x + na) =
n
(x) = nite for all n, it follows that
1
= e
iqa
and
2
= e
iqa
. Thus one has that (x + na) = e
niqx
(x) that it is satisfy only if
(x) = e
iqx
u
q
(x) with u
q
(x + a) = u
q
(x).
44. Find the spectra for the Diracs comb potential: V (x) = (V
0
/2m)
n
(x na)
A: The solution in the cells 0 < x < a and a < x < 2a can be written in general as
(x) =
_
Ae
ikx
+ Be
ikx
for 0 < x < a
Ae
ik(xa)
+ Be
ik(xa)
for a < x < 2a
(1.103)
Boundary conditions at x = a imply that
Ae
ika
+ Be
ika
= A + B, ik[Ae
ika
Be
ika
] = ik(A B) + V
0
(A + B) (1.104)
that can be solved to produce the equation
cos(ka) 1 = V
0
/2k sin(ka) (1.105)
whose solutions are bands of energy.
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to quarks, Gordon and Breach 19
Chapter 2
Schr odinger Equation 3D
2.1 Center of mass motion
The Hamiltonian for the case of two particles, in general
H =
p
2
1
2m
1
+
p
2
2
2m
2
+ V (r
1
, r
2
) (2.1)
Using the coordinates of the center of mass and relative motion: r = r
2
r
1
and R =
[m
1
r
1
+ m
2
r
2
]/(m
1
+ m
2
) one has that
1
=
2m
1
m
1
+ m
2
R
+
_
m
1
m
1
+ m
2
_
2
2
= +
2m
2
m
1
+ m
2
R
+
_
m
2
m
1
+ m
2
_
2
R
(2.2)
to obtain for the Schr odinger Eq.
_
1
2
1
2M
R
+ V (r, R)
_
(r, R) = E
T
(r, R) (2.3)
with M = m
1
+ m
2
and = m
1
m
2
/M. In the case the potential can be written as
V (r, R) = V (r) + V
ext.
(R) The solution can be written as (r, R) =
CM
(R)(r), to separate
the two contributions satisfying the equations
_
1
2M
R
+ V
ext.
(R)
_
(R) = E
CM
(R),
_
1
2
+ V (r)
_
(r) = E(r) (2.4)
and E
T
= E
CM
+E. The CM motion in the due to the external sources of interaction, like
in the case of a insulated system
63
64 CHAPTER 2. SCHR
ODINGER EQUATION 3D
CM
= Ae
ip
CM
R
(2.5)
with E
CM
= p
2
CM
/2M. It remains to solve the internal part, as will be done analytically ,
for several case in the following.
2.2 Cartesian coordinates
2.2.1 Plane waves, free particle (3D)
For a free particle the wave equation is
2
= 2mE, and its solution can be obtained easily,
with the normalization condition
=
1
(2)
3/2
e
ikx
, E
k
=
k
2
2m
;
_
d
3
x
k
(x)
k
(x) =
(3)
(k
k) (2.6)
2.2.2 Particle in a perfect box
In this case the particle is inside a perfect box of sides a, b and c. It is the same as the
free particle except it has to satisfy the boundary conditions. The solution is, then (with
n
1, 2, 3
= 1, 2, 3, 4, )
n
1
n
2
n
3
=
_
8
V
sin
_
n
1
x
a
_
sin
_
n
2
y
b
_
sin
_
n
3
z
c
_
,
E
n
1
n
2
n
3
=
1
2m
_
_
n
1
a
_
2
+
_
n
2
b
_
2
+
_
n
3
c
_
2
_
(2.7)
2.2.3 Anisotropic Harmonic oscillator (3D)
In general all potential with a minima at a = (a, b, c) can be approximated by (the mixed terms
can be eliminated by choosing appropriately the axis to diagonalize the quadratic form)
V (x)
1
2
_
2
V
x
2
(x a)
2
+
2
V
y
2
(y b)
2
+
2
V
z
2
(z c)
2
_
=
1
2
m
_
2
1
(x a)
2
+
2
2
(y b)
2
+
2
3
(z c)
2
(2.8)
The Sch odinger Eq. can be written in this case (x x +a)
2
+
_
2mE m
2
_
2
1
x
2
+
2
2
y
2
+
2
3
z
2
_
= 0
1
1
d
2
1
dx
2
+
1
2
d
2
2
dy
2
+
1
3
d
2
3
dz
2
+ 2mE
4
1
x
2
4
2
y
2
4
1
z
2
= 0 (2.9)
2.2. CARTESIAN COORDINATES 65
with (r) =
1
(x)
2
(y)
3
(z),
d
2
i
d
2
i
+ [
i
2
i
]
i
= 0 (2.10)
with
i
= 2E
i
/
i
= 2mE
i
/
2
i
,
2
i
= m
i
and
i
=
i
x
i
(no sum), and similarly for the other
components. Naturally E = E
1
+ E
2
+ E
3
. Thus the normalized solution is
i
(x) =
_
i
2
n
i
n
i
!
exp[
2
i
/2]H
n
i
(
i
), E
i
= (n
i
+ 1/2)
i
n
1
= 0, 1, 2 . . .
(x) =
_
1
3
2
n
1
+n
2
+n
3
n
1
!n
2
!n
3
!
3/2
exp[(
2
1
+
2
2
+
2
3
)/2]H
n
(
1
)H
n
(
2
)H
n
(
3
)
N exp[(
2
1
+
2
2
+
2
3
)/2]H
n
1
(
1
)H
n
2
(
1
)H
n
3
(
1
)
E = (n
1
+ 1/2)
1
+ (n
2
+ 1/2)
2
+ (n
3
+ 1/2)
3
(2.11)
That in the isotropic case becomes E = (n
1
+ n
2
+ n
3
+ 3/2).
2.2.4 Particle in a Magnetic Field
The Hamiltonian for a charged particle in a constant magnetic eld, B (taken in the zdirection)
is (See Libo 418. )
H =
1
2m
(p eA)
2
=
1
2m
_
(p
x
+ eyB)
2
+ p
2
y
+ p
2
z
(2.12)
where the magnetic eld is related to the vector potential as A = (yB, 0, 0) when the
zaxis is chosen along the magnetic eld. The solution can be obtained as = Aexp[i(k
x
x +
k
z
z)] f(y) and
H =
1
2m
_
(k
x
+ eyB)
2
+ p
2
y
+ k
2
z
= E,
1
2m
_
(k
x
+ eyB)
2
+ p
2
y
f(y) =
_
p
2
y
2m
+
1
2
m
2
(y + y
0
)
2
_
f(y) =
_
E
k
2
z
2m
_
f(y) (2.13)
with = eB/m the cyclotron frequency and y
0
= k
x
/eB. The equation for f is the one for
the harmonic oscillator, so the nal solution is
n,kxkz
=
N
n
2
e
i(kxx+kzz)
2
/2
H
n
(), E
n,kxkz
= (n + 1/2) + k
2
z
/2m (2.14)
with = (y+y
0
)
2
, N
n
the normalization constant of the harmonic oscillator and
2
= m.
The energy levels are referred as Landau Levels.
66 CHAPTER 2. SCHR
ODINGER EQUATION 3D
2.3 Central Potentials
In the case the potential is central (V (r) = V (r)) is better to use spherical coordinates to
obtain
1
2
_
1
r
2
r
r
2
r
+
1
r
2
_
1
sin
sin
+
1
sin
2
2
__
(r) + V (r)(r) = E(r) (2.15)
Taking (r) = R(r)Y
lm
() = R(r)()() one obtains (see orbital momenta section in
the Angular momenta chapter) that
1
2
_
R
+
2
r
R
_
+ V
e.
(r)R(r) = ER(r)
V
e.
(r) = V (r) +
l(l + 1)
2r
2
(2.16)
that can be rewritten in terms of R = u/r as
1
2
u
+ V
e.
(r)u(r) = Eu(r) (2.17)
Given that R has to be nite at r 0 on has that u(r 0) 0. The normalization
conditions are
_
0
drr
2
[R(r)[
2
=
_
0
dr[u(r)[
2
= 1 (2.18)
It is easy to show that for central potentials such that
1. if V (r 0) 1/r
s
, with s < 2 the wavefunction behaves as R(r 0) r
l
. So
R
nl
(r 0) = R
ns
(0)
l0
.
2. Similarly, for central potentials the parity of an eigenstate of angular momenta l is (1)
l
:
P[nlm >= (1)
l
[nlm >.
2.3.1 Spherical Waves
For the case of a free particle or spherical waves the potential energy vanish. The radial part
of the Schrodinger eq. becomes
R
l
+
2
r
R
l(l + 1)
r
2
R
l
= 2ER
l
(r)
d
2
d
2
R
l
+
2
d
d
R
l
l(l + 1)
2
R
l
+ R
l
(r) = 0 (2.19)
2.3. CENTRAL POTENTIALS 67
with = kr and k
2
= 2E. This is the Spherical Bessel Eq. with general solution R
l
(r) =
A
l
j
l
() + B
l
n
l
() (the Spherical Bessel and Neuman functions. Arfken 622). The boundary
condition at r = 0 implies that B
l
= 0, so the solution is
klm
= A
l
j
l
(kr)Y
lm
(, ). This
wavefunction can be normalized as
_
drr
2
d
klm
m
= (k k
)
ll
mm
_
0
dJ
()J
) =
1
) (2.20)
where the last identity is valid for > 1/2 (Arfken 594) and it is used with j
l
(x) =
_
/2xJ
l+1/2
(x) (Arfken 623) to obtain the normalized wavefunction
klm
=
_
2
kj
l
(kr)Y
lm
(, )
_
2
1
r
sin(kr l/2)Y
lm
(2.21)
Where the limit is taken when r is large. Notice that this is consistent with probability (or
energy) conservation for spherical waves.
2.3.2 Innite spherical bag
In this case the particle can be inside a perfect bag of radius a, and the solution is the same as
in the former case: R
l
(r) = A
l
j
l
(kr) (k
2
= 2E), while vanish outside. The boundary condition
at the surface of the sphere implies that R
l
(a) = A
l
j
l
(ka) = 0, so ka = x
nl
the roots of the
lth Spherical Bessel function: j
l
(x
nl
) = 0. Then the normalized solution is (see Appendix,
spherical Bessel function)
nlm
= A
nl
j
l
(x
nl
r/a)Y
lm
(, ), [A
nl
[
2
=
a
3
2
[j
l+1
(x
nl
)]
2
, E
nl
=
x
2
nl
2a
2
(2.22)
l n 1 2 3 4 5
s 2 3 4 5
p 4.4934 7.7252 10.9041 14.0662 17.2208
d 5.7635 9.0950 12.3229 15.5146 18.6890
f 6.9879 10.4171 13.6980 16.9236 20.1218
g 8.1826 11.7049 15.0397 18.3013 21.5254
Table 1: Spherical Bessel roots. They can be approximate as x
nl
(n + l/2).
1. One physically application of this simple model is to Nuclear Physics where the potential
acting over a nucleon (proton or neutron) inside a given nuclei can be modelled as the
perfect bag (of course it is a very rude oversimplication), as in the case of large nucleus
and it is the base for the Fermi gas model.
68 CHAPTER 2. SCHR
ODINGER EQUATION 3D
6
3
5
7
9
11
s, l = 0 p, l = 1 d, l = 2 f, l = 3 g, l = 4 h, l = 5
1s
2s
3s
1p
2p
3p
2a
2
E
nl
Perfect bag
1d
2d
1f
2f
1g
2g
Figure 2.1: Perfect spherical bag spectra 2a
2
E
nl
= x
2
nl
, with n
2S+1
L
J
.
2. This simple model is able to explain the magic numbers (Townsend 296 and Eisberg
575): the nuclei with these number of protons and neutrons are more stables that the
others.
3. These number can be understood in the Shell Model of Nuclear Physics: when a given
shell is full the corresponding nuclei is more stable
(a) In the periodic table where the numbers are 2 (He), 10 (Ne), 18 (Ar), 36 (Kr), 54
(Xe), 86 (Rn) electrons).
(b) The experimental magic numbers are 2, 8, 20, 28,50, 82 and 126 [Nuclear Physics].
(c) In the case of the perfect bag the numbers would be 2, 8, 18, 20, and so on.
These can be seen in the graph of the spectra bellow. The dierence is, of course due
to the lack of these very simple potential to reproduce the real one, where for example
the spinorbit and spinspin, etc. interactions have to be included (Cottingham 24 and
Townsend 296).
4. More applications are in hadronic physics where quarks are conned inside mesons and
barions, like in the MIT bag mode.
2.3.3 Finite spherical bag
The potential is in this case V = V
0
inside the bag (r < a) and vanish outside. In this section
we are going to solve for the discrete spectra: E < 0. The dierential equations, inside and
2.3. CENTRAL POTENTIALS 69
outside are, respectively
R
l
+
2
_
l(l + 1)
2
1
_
R
l
= 0 (2.23)
for r < a and r > a, respectively. The derivatives are taken with respect to = kr for r < a
and = r for r > a. Besides k
2
= 2(V
0
+ E) 0 and
2
= 2E 0. The solution is,
taken into account the boundary conditions at the origin and at innity
R
l
=
_
A
l
j
l
(kr) for r < a
B
l
h
(1)
l
(ir) for r > a
(2.24)
given that h
(1, 2)
l
(ir) exp[r]. From continuity of the logarithmic derivative one has
that
l
()
j
l
()
= i
h
(1)
l
(i)
h
(1)
l
(i)
(2.25)
with = ka and = a (They are not independent but satisfy the relation
2
+
2
= c
2
=
2V
0
a
2
). This equation can be specialized to
cot = , l = 0
(1 + )
2
+
2
(1 cot ) = 0, l = 1
9 + 4
2
+ (9
2
) cot
3
2
cot
=
9 + 9 + 4
2
+
3
3 + 3 +
2
, l = 2 (2.26)
and so on.
1. Notice that in this case if c
_
/2 no a bound state are possible, contrary to the one
dimensional case. It corresponds to = /2, V
0
= k
2
/2, and E = 0 the mouth of the
well. The rst equation (for l = 0) is exactly the same for the 1D nite well, for even
functions (R
1s
(0) ,= 0). > 0, otherwise particles can be at innite. produce the
same solutions for the energy and the wavefunction.
2. In the physical case of Deuterium there is only one bound state.
Once the solutions,
nl
of these equations are obtained the energy spectra can be computed
as E
nl
= (1 +
2
nl
/c
2
)V
0
.
70 CHAPTER 2. SCHR
ODINGER EQUATION 3D
c=2
1s
=1.895494
c=4
1s
=2.474577
1p
=3.471965
c=6
1s
=2.6788
2s
=5.22596
1p
=3.8115
1d
=4.8548
c=15
ns
=2.9440 5.8803 8.798 11.6744 14.4169
np
=4.20936 7.2236 10.1613 13.0186
nd
=5.39698 8.4959 11.4595 14.2756
Table 2: Roots of the eqs. (2.26).
c=2 E
1s
/V
0
=0.102
c=4 E
1s
/V
0
=0.617 E
1p
/V
0
=0.2466
c=6 E
1s
/V
0
=0.801 E
2s
/V
0
=0.241 E
1p
/V
0
=0.596 E
1d
/V
0
=0.3453
c=15 E
ns
/V
0
=0.961 0.846 0.656 0.394 0.076
E
np
/V
0
=0.921 0.768 0.5411 0.2467
E
nd
/V
0
=0.8705 0.679 0.4164 0.0943
Table 3: Energetic spectra (E
nl
/V
0
) for the spherical nite bag.
The wavefunction is then, with its normalization condition
R
l
= A
l
_
j
l
(r/a) for r < a
_
j
l
()/h
(1)
l
(i)
_
h
(1)
l
(ir/a) for r > a
[A
l
[
2
a
3
_
_
_
1
0
[j
l
(x)]
2
x
2
dx +
j
l
()
h
(1)
l
(i)
2
_
1
[h
(1)
l
(ix)]
2
x
2
dx
_
_
= 1 (2.27)
2.3.4 Isotropic harmonic oscillator
In this case the radial equation (see harmonic oscillator 1D 1.4)
R
l
+
2
r
R
_
1
2
2
r
2
+
l(l + 1)
r
2
2E
_
R
l
= 0
_
d
2
d
2
+
2
d
d
2
l(l + 1)
2
+
_
R
l
(r) = 0 (2.28)
with =
r,
2
= and = 2E/. The solution can be written, using R =
exp[
2
/2]
l
W as
2.3. CENTRAL POTENTIALS 71
6
0.9
0.7
0.5
0.3
0.1
s, l = 0 p, l = 1 d, l = 2 f, l = 3 g, l = 4 h, l = 5
1s
2s
3s
4s
5s
1p
2p
3p
4p
2a
2
E
nl
Finite bag
1d
2d
3d
4d
Figure 2.2: Finite spherical bag spectra E
nl
/V
0
, with c = 15 and n
2S+1
L
J
.
W
+ 2
_
l + 1
_
W
(3 + 2l )W = 0
_
z
d
2
dz
2
+
_
2l + 3
2
z
_
d
dz
+
1
4
( 2l 3)
_
W(z) = 0 (2.29)
with z =
2
. The general solution is W = AF + BF/z
l+1/2
with a = ( 2l 3)/4 and
c = l + 3/2. Given that it has to be nite at the origin then B = 0 and
R
nl
= e
2
/2
l
F
_
2l + 3
4
,
2l + 3
2
,
2
_
(2.30)
Besides it has to vanish at innity for a bounded state (all physical states have to be bounded
in this case). The asymptotic behavior is
R
nl
e
2
/2
l
e
2
(
2
)
ca
(2.31)
so one has that (2l + 3 )/4 = n = integer. Thus the solution is given as (it can be
written in terms of the associated Hermite polynomials too B.4.6, [4])
72 CHAPTER 2. SCHR
ODINGER EQUATION 3D
6
3
5
7
9
11
s, l = 0 p, l = 1 d, l = 2 f, l = 3 g, l = 4 h, l = 5
1s
2s
3s
1p
2p
2E
nl
/
Isotropic oscillator
1d
2d
1f
1g
Figure 2.3: Isotropic harmonic oscillator spectra E
nl
= (2n + l + 3/2), with n
2S+1
L
J
.
nlm
= N
nl
e
2
/2
l
F
_
n,
2l + 3
2
,
2
_
Y
lm
, E
n,l,m
= (2n + l + 3/2)
[N
nl
[
2
= 2()
3/2
(n + l + 3/2)
(n + 1)
2
(l + 3/2)
(2.32)
Examples are, for sstates
R
00
=
_
4
()
3/2
_
1/2
e
2
/2
, R
10
=
_
6
()
3/2
_
1/2
e
2
/2
_
1
2
3
2
_
R
20
=
_
15
2
()
3/2
_
1/2
e
2
/2
_
1
4
3
2
+
4
15
4
_
R
30
=
_
35
4
()
3/2
_
1/2
e
2
/2
_
1 2
2
+
4
3
8
15 7
6
_
(2.33)
for pstates
R
01
=
_
8
3
()
3/2
_
1/2
e
2
/2
, R
11
=
_
20
3
()
3/2
_
1/2
e
2
/2
_
1
2
5
2
_
R
21
=
_
35
3
()
3/2
_
1/2
e
2
/2
_
1
4
5
2
+
4
35
4
_
(2.34)
2.3. CENTRAL POTENTIALS 73
and for dones
R
02
=
_
16
15
()
3/2
_
1/2
e
2
/2
2
, R
12
=
_
7 8
15
()
3/2
_
1/2
e
2
/2
_
1
2
7
2
_
2
R
22
=
_
42
5
()
3/2
_
1/2
e
2
/2
2
_
1
4
7
2
+
4
7 9
4
_
(2.35)
2.3.5 Coulomb potential, Hydrogenic atoms
The interest in Hydrogenic atoms is very wide [Hydrogenic atoms, Rydberg atoms]. In general
the atom is bounded by the Coulombic potential V = Ze
2
/4
0
r = Z/r. So one has to
solve the radial equation:
R
l
+
2
r
R
l
+
_
2Z
r
l(l + 1)
r
2
+ 2E
_
R
l
= 0
_
d
2
d
2
+
2
d
d
+
l(l + 1)
2
1
4
_
R
l
(r) = 0 (2.36)
where = 2Z/,
2
= 8E > 0 (for bounded states) and = r. By transforming
R
l
= exp[/2]
l
F() the equation becomes
F
+ [2(l + 1) ] F
+ ( l 1)F = 0 (2.37)
again the Hypergeometric Conuent equation with a = l + 1 and c = 2(l + 1). The
solution has to be nite at the origin, so one has that F = AF(l + 1 , 2(l + 1), ). Given
that we are looking for atoms (bounded systems) the wavefunction has to be nite at innity
so a = l + 1 = n, with n = 0, 1, 2, . Then n = n + l + 1 = 1, 2, 3 and
the Energy becomes quantized: E
n
= (/2)[Z/n]
2
. Notice that n = n (l + 1) 0 and
0 l < n. The radial solution can be written in terms of the Associated Laguerre Polynomials
(Arfken 755):
R
l
= Ae
/2
l
F(l + 1 n, 2(l + 1), )
F( n, m+ 1, x) =
n!m!
( n + m)!
L
m
n
(x) (2.38)
Normalization can be done by using (Arfken 726)
_
0
dx e
x
x
k+1
_
L
k
n
(x)
2
=
( n + k)!
n!
(2 n + k + 1) (2.39)
The nal solution is, then (unfortunately several convention (see Libo 439) have been
adopted for the Laguerre polynomials: The one adopted here R
nl
L
2l+1
nl1
, Gasiorowicz,
74 CHAPTER 2. SCHR
ODINGER EQUATION 3D
6
1.0
0.75
0.5
0.25
0
s, l = 0 p, l = 1 d, l = 2 f, l = 3 g, l = 4 h, l = 5
1s
2s
3s
ns
1p
2p
np 2E
nl
(Z)
2
=
1
n
2
Hydrogenic atoms
1d
nd
1f
nf
1g
ng
Figure 2.4: Hydrogenic atoms spectra 2E
nl
/(Z)
2
Merzbacher, Messiah, Libo, Arfken, Abramowitz, AMS55 chap. 22, etc. The other one is
R
nl
L
2l+1
n+l
of Schi, Landau, PauliWilson, Bransden, Zettili, Tomonaga, etc. A third one is
adopted by Gradshteyn)
nlm
= N
nl
e
/2
l
L
2l+1
nl1
()Y
lm
[N
nl
[
2
=
(n l 1)!
(n + l)!
4
n
4
a
3
Schi
nlm
= N
Schi
nl
e
/2
l
L
2l+1
n+l
()Y
lm
N
Schi
nl
2
=
(n l 1)!
[(n + l)!]
3
4
n
4
a
3
E
n
=
2
_
Z
n
_
2
, l < n = 1, 2, 3 (2.40)
with = 2x/n = 2r/na, = 2/na, a = a
/Z, a
= 1/m
e
= 0.529 177 208 3(19) 10
10
m and the Rydberg energy R
= m
e
2
/2 =
13.605 691 72(53) eV= 10 973 731.568 549(83) m
1
[PDG]. The degeneracy of each level can
be obtained as
n1
l=0
(2l + 1) = 2
n1
l=0
l + n = 2
(n 1)n
2
+ n = n
2
(2.41)
Several radial wavefunctions are written bellow, for sstates
2.3. CENTRAL POTENTIALS 75
R
ns
=
2L
1
n1
(2x/n) exp[x/n]
n
5/2
a
3/2
R
1s
=
2 exp[x]
a
3/2
R
2s
=
(1 x/2) exp[x/2]
2 a
3/2
R
3s
=
2(3 2x + 2x
2
/9) exp[x/3]
3
5/2
a
3/2
R
4s
=
(4 3x + x
2
/2 x
3
/48) exp[x/4]
16a
3/2
(2.42)
for pstates
R
np
=
2(2x/n)L
3
n2
(2x/n) exp[x/n]
n
5/2
n
2
1 a
3/2
R
2p
=
x exp[x/2]
24 a
3/2
R
3p
=
2
3 a
3/2
R
4p
=
x(10 5x/2 + x
2
/8) exp[x/4]
32
15 a
3/2
(2.43)
for dstates
R
nd
=
2(2x/n)
2
L
5
n3
(2x/n) exp[x/n]
n
5/2
_
(n
2
4)(n
2
1) a
3/2
R
3d
=
2
2 x
2
exp[x/3]
81
15 a
3/2
R
4d
=
x
2
(6 x/2) exp[x/4]
384
5 a
3/2
(2.44)
An interesting process that can happens, given than the wave function for the Swave states
does not vanish at the origin is the possibility of the so called electron capture. One electron
(of the inner shells) annihilates with a proton in the reaction ep n
e
. This process does
not happen because the neutron is heavier than the initial electron and proton. However in
several isotopes, where the electron has enough energy this happens. It seems in a supernova
this is a possibility, with the emission of large quantities of energy in form of photons, neutrinos
and matter. As a consequence neutron stars are produced with a much smaller radius. The
theory of electron capture was rst discussed by GianCarlo Wick in a 1934 paper, and then
developed by H. Yukawa and others. Kelectron capture was rst observed by Luis Alvarez, in
vanadium48 in 1937. Alvarez studied electron capture in gallium67 and other nuclides.
The formulas above can by applied to atomic systems with dierent degree of accuracy. A
list of atomic systems can go as follows:
1. Hydrogenic ions, with only one electron [Hydrogenic atoms, Rydberg atoms]. A particular
case is the one with Z large where the radiative corrections are large [Rydberg atoms].
Duterium and tritium can be included in this category.
2. Muonic atoms [Rydberg atoms]. Are the same as above but the electron is substituted by
a muon: (Ze)
. They were postulated in 1947. Bohrs formula doesnt works for large
Z due to volume eects (a greater interaction of the muon with the nuclei), besides the
usual relativistic ones.
76 CHAPTER 2. SCHR
ODINGER EQUATION 3D
3. Rydberg atoms [Rydberg atoms]. Highly excited ones with n 100. In this case the
radio becomes as large as 0.1 m, of the size of bacterias!. The involved energies are of
the order of meV, so are not easy to study. There are two possibilities: hydrogenic ions
and normal atoms with one highly exited electron. Given that it is far from the rest of
the atom it sees a nearly Coulombic potential produced by the ionic core. These atoms
are important to study the transition from QM to Classical Mechanics.
4. Positronium (e
e
+
) and muonium (
+
e
p, etc.
An interesting cases are when combinations of particles and antiparticles are bounded
like He
++
pe, He
++
p, H
+
p
6. Hadronic atoms [Hadronic atoms, Rydberg atoms]. Examples are N
, NK
, N p, N
+
, etc. These atoms are mainly bounded by EM interactions with corrections due to
Strong Interactions (SI). For this reason are a good place to study SI at low energy.
7. Nuclei [Nuclear Physics]. In this case the forces involved are the Strong Interactions,
unfortunately not very well known. The simplest case is deuterium.
8. Mesons and Quarkonium [NRQM, PDG]. Again they are bounded by Strong Interactions.
There are two possibilities: mesons constituted by light quarks (u, d and s: m
u
m
d
300 MeV and m
s
500 MeV) and those of heavy quarks (c and b: m
c
1.4 GeV
and m
b
4.5 GeV. Quark t is not able to form bounded states due to the fact that its
lifetime is too short) or Quarkonium. Examples of the rst kind are u
d, K u s,
etc. [PDG]. Of the second kind we have J/ c c, b
b, B
c
= b c, etc. [PDG].
System E
I
2s1s
[hz] r a
H
H 13.6 eV 2.4 10
15
0.8
A
U
91+
0.12 MeV 2 10
19
8.7 m
A=870 fm
Rydberg a. n = 100 1.4 meV 2.4 10
11
0.8m
Muonic a. (N) 2.9 keV 5.1 10
17
3.8 m
A=380 fm
Ps (e
e
+
) 6.8 eV 1.2 10
15
1.6
A
Muonium (
+
e
) 13.6 eV 2.4 10
15
0.8
A
N
+
1.9 keV 2 10
19
570 fm
c c, b
d
d
l(l + 1)
2
+
1
4
+
_
R
l
= 0 (2.46)
Transforming to the new function R
l
=
l
exp[i/2]F one obtains
F
+
_
i +
2(l + 1)
_
F
+
i(l + 1)
F = 0 (2.47)
If now a new variable is used x = i then
F
+
_
1 +
2(l + 1)
x
_
F
l + 1 i
x
F = 0 (2.48)
and the solution is F = F(l + 1 i, 2l + 2, i). The general solution, regular at the origin
is F =
l
[fF(l + 1 i, 2l + 2, i)e
i/2
+ gF(l + 1 + i, 2l + 2, i)e
i/2
], but given that
F(a, c, z) = e
z
F(c a, c, z) they are not independent. The solution regular at the origin is (it
can be obtained from (2.38) by the substitution: E E, ik, 2ikr and i
R
kl
= c
l
l
e
i/2
F(l + 1 + i, 2l + 2, i)
R
kl
c
l
(2l + 2)
_
e
i/2
(l + 1 i)
(i)
(l+1+i)
1i
+
e
i/2
(l + 1 + i)
i
(l+1i)
1+i
_
f() =
l
2l + 1
2ik
_
e
2i
l
1
_
P
l
=
1
2ik
l
(2l + 1)
(l + 1 i)
(l + 1 + i)
P
l
e
2i
l
=
(l + 1 i)
(l + 1 + i)
(Landau600) (2.49)
giving the F(a, c, z) (Landau d.14) dening the partial phase for the Coulomb potential as
l
= arg ((l + 1 i)) one has that
R
kl
c
l
(2l + 2)
[(l + 1 + i)[
e
/2
sin (kr + log(kr/2) l/2 +
l
)
kr
(2.50)
and in order to obtain a plane wave, once we are far from the source:
Ae
ikz
= A
l
(2l + 1)i
l
j
l
(kr)P
l
A
l
(2l + 1)i
l
sin(kr l/2)
kr
P
l
c
l
= A
(2l + 1)i
l
[(l + 1 + i)[
(2l + 2)
e
/2
=
[(l + 1 + i)[
V (2l)!
i
l
e
/2
(2.51)
78 CHAPTER 2. SCHR
ODINGER EQUATION 3D
where the constant A was choosen in order to normalize the wavefunction (Landau 141) to one,
when we have a particle in a large box of volume V and the identity
_
0
sin(kr) sin(k
r)dr =
(/2)(k k
l
[(l + 1 + i)[
V (2l)!
i
l
e
/2
(2kr)
l
e
ikr
F(l + 1 + i, 2l + 2, 2ikr)Y
lm
(2.52)
and ((z + 1) = z(z), (n + 1) = n! and (z)(1 z) = / sin(z), [(1 + i)[
2
e
=
2/(1 e
2
)
[R
ns
(0)[
2
=
[(1 + i[
2
V
exp() =
1
V
2
1 e
2
[R
np
(0)[
2
=
[(2 + i[
2
4V
exp()(2k)
2
=
k
2
V
(1 +
2
)
2
1 e
2
(2.53)
2.4. SCHR
. E
T
= 7k
B
T/2 2R
.
2.4.2 Cartesian coordinates
Innite well
3. Sketch the energy levels and their degeneracy for an innite well in the case of, for example
2a = b = c.
4. For an an innite well obtain expecting values of, for example x, x, x
rms
, x
2
, x
2
, v
y
, v,
v
rms
, x
2
, K, V (x) etc.
5. Obtain the order of magnitude of the energy for a particle of mass m inside a region of
volume V . Work out the cases: 1) molecule in a macroscopic box, 2) electron conned in
an atom, 3) nucleon inside a nucleia, 4) quark inside nucleon, etc.
A: In order to make an estimate one can assume the specic geometry is not very im
portant so one can take a cube of side a = V
1/3
. The energy levels are then given as
E
n
1
n
2
n
3
= (1/2m)(/a)
2
[n
2
1
+ n
2
2
+ n
2
3
] (3/2m)(/a)
2
n
2
so E
n
= (3/m)(/a)
2
nn.
Taking n n 1 E
n
= (3/m)(/a)
2
(c)
2
. Thus a) E
n
= (3/Am
p
)(/a)
2
(3/1 GeV)[/1 m]
2
0.039 (GeV fm)
2
1.2 10
21
eV!, b) E
n
= (3/m
e
)(/2a
0
)
2
(3/0.5 MeV)[/1 10
10
m]
2
0.039 (GeV fm)
2
231 eV, c) E
n
= (3/m
p
)(/r
N
)
2
ODINGER EQUATION 3D
Z =
n
e
En
=
n
1
, n
2
, n
3
exp
_
2
2m
_
_
n
1
a
_
2
+
_
n
2
b
_
2
+
_
n
3
c
_
2
__
m
3
a
2
b
2
c
2
8
3
3
=
const.
3/2
(2.54)
and < E >= 3k
B
T/2
Finite well
8. Solve the cases of ideal Quantum well (a particle conned to one dimension but free in the
other two), a Quantum wire (a particle conned in two dimensions but free in the other
one) and a Quantum dot (a particle conned in all three dimensions: a perfect box).
A:
E
kxkyn
=
1
2m
_
k
2
x
+ k
2
y
+
_
n
z
a
_
2
_
, E
njkz
=
1
2m
_
_
n
x
a
_
2
+
_
j
x
b
_
2
+ k
2
z
_
,
E
njl
=
1
2m
_
_
n
x
a
_
2
+
_
j
y
a
_
2
+
_
l
z
c
_
2
_
(2.55)
9. Solve the nite potential well 3D version: V = V
0
inside the box of sides a, b and c and
V = 0 outside.
Anisotropic oscillator
10. Sketch the energy levels and their degeneracy for a anisotropic harmonic oscillator in the
case of, for example
x
=
y
=
z
/2 /2.
11. For an anisotropic harmonic oscillator obtain expecting values of, for example x, x, x
rms
,
x
2
, x
2
, v
y
, v, v
rms
, x
2
, K, V (x) etc.
12. Solve the case of a particle in a anisotropic harmonic oscillator with a constant electric
eld, V = (m/2)[
2
1
x
2
+
2
2
y
2
+
3
y
3
] eEz.
2.4.3 Central Potentials
13. Show that for central potentials such that V (r 0) 1/r
s
, with s < 2 the wavefunction
behaves as R(r 0) r
l
.
2.4. SCHR
2V
0
2.8 fm.
19. For the 3D isotropic harmonic oscillator show that the spectra, including the degeneracy
is the same in cartesian and spherical coordinates.
Isotropic harmonic oscillator
20. Show how an isotropic harmonic oscillator has the same spectra and degeneracy in spher
ical coordinates and cartesian coordinates.
21. Using the Virial theorem compute < r
2
> and v v
rms
=
< v
2
> for any state, in the
case of a isotropic harmonic oscillator.
A: 2 < p
2
/2 >=< r
2
r > then < p
2
>=
4
< r
2
>. < E >=< p
2
/2 > +(1/2)
2
<
r
2
> and 2(2n+l +3/2) =
4
< r
2
> +
4
< r
2
>. Finally < r
2
>= (2n+l +3/2)/
2
,
< p
2
>= (2n + l + 3/2)
2
, < v
2
>= (2n + l + 3/2)/ and v
rms
=
_
(2n + l + 3/2)/
82 CHAPTER 2. SCHR
ODINGER EQUATION 3D
22. For an harmonic isotropic oscillator obtain expecting values of, for example x, x, x
rms
,
x
2
, x
2
, v
y
, v, v
rms
, x
2
, K, V (x) etc.
2.4.4 Hydrogenic atoms
23. What does the periodic table become, assuming that the electromagnetic interaction
energy of the electrons can be neglected. A: 1s: 2 states: HHe, OK. 2s 2p: 8 states:
LiNe, OK. 3s 3d: 10 states, wrong: real 8 states: NaAr. [PDG]
24. Deuteriom was discovered in 1932 by H. Urey (He got the 1934 Nobel Prize for this
discovery) [Hydrogenic atoms]. They observed that the H
( = 6562.8
A) line have a
second one, due to Deuterium shifted by 1.8
A. Similarly the H
( = 4861.3
A) line have
a second one too, shifted by 1.3
A. Can you verify that the shifts are correct, assuming
that Deuterium nuclei is a proton and a neutron?.
A: = (/2)(Z)
2
[1/n
2
1
1/n
2
2
] = 2/ so
a
/
b
=
b
/
a
, and (/)
H
= (
H
D
)/mbda
H
= (/)
H
= m
e
/2m
p
: 2.74 10
4
2.67 10
4
2.67 10
4
, that is
correct!.
25. The frequency emitted in a transition 2s 1s of the hydrogen, deuterium and muonium
atoms (2 emission) was measured (see Th. St ohlker et al in [Lamb], as well the 2005
Nobel prize). Compare with our prediction from Bohr formula. Do the same for U
92+
where
LS
2s1s
= 468(13) eV [Rydberg atoms]
Element
exp.
[Mhz]
theo.
theo.
[Mhz]
H
(2S
1/2
1S
1/2
) 2466 061 413.187 103 (46) 2466 061 413.187 103(46) 2466 038 692
(
D
H
)(2S
1/2
1S
1/2
) 670 994.334 64 (15) 670 994.334 64(15) 671 340
+
e
(2S
1/2
1S
1/2
) 2455 528 941.0(98) 2455 528 935.4(14) 2455 506 096
A: E = (3/8)(Z)
2
= 2
2s1s
, so
2s1s
= 3m
e
2
/[16(1 + m
e
/m
p
)]. Similarly
H
= 3m
e
2
/(16)[1/(1 + m
e
/2m
p
) 1/(1 + m
e
/m
p
)]
26. Quarkonium is a bound state of two heavy quarks Q
Q
2
s
/3 and
s
=
_
3m/m
Q
. For
Charmonium
s
=
_
3m/m
c
= 1.2 (m
c
= 1.2 GeV) and a
= 3/4
s
= 3c/2
s
m
c
=
0.29 fm. For Bottomonium
s
=
_
3m/m
b
= 0.6 (m
b
= 4.3 GeV) and a
= 3/4
s
=
3c/2
s
m
b
= 0.16 fm.
2.4. SCHR
System E
I
r
2BH 3.6 10
198
J 5.6 10
149
m
BHE 1.9 10
182
J 3 10
138
m
BHn 2.7 10
40
MeV 5.2 10
35
m
2n 9.8 10
69
eV 9 10
22
m
31. Obtain
nlm
(r = 0). L
1
n1
(0) = n
A : [
nlm
(r = 0)[
2
= [N
n0
[
2
[L
1
n1
(0)[
2
[Y
00
[
2
l0
=
4
n
5
a
3
_
L
1
n1
4
_
2
=
1
_
1
na
_
3
(2.57)
and [
nlm
(r = 0)[
2
= (Z/n)
3
/ = (Z/na
)
3
/
32. Using the Virial theorem compute < 1/r > and v v
rms
=
< v
2
> for any state, in the
case of a hydrogen atom. A: 2 < p
2
/2 >=< r Z/r
2
> then < p
2
>= Z < 1/r >.
< E >=< p
2
/2 > Z < 1/r > and (/2) (Z/n)
2
=< p
2
> /2 Z < 1/r >.
Finally < 1/r >= Z/n
2
a
, < p
2
>= (Z/n)
2
, < v
2
>= (Z/n)
2
and v
rms
= Z/n
33. Show that (for s > 2l 1, Libo 452, Arfken p. 729, Bransden AM 610!!)
Hint: Multiply the Schrodinger equation by r
s+2
R
+ cr
s+1
R and integrate by parts.
A: First one can show that
84 CHAPTER 2. SCHR
ODINGER EQUATION 3D
_
0
drr
s+2
R
dr =
s + 2
2
_
0
drr
s+1
(R
)
2
,
_
0
drr
s
R
R =
s
2
< r
s3
>
_
0
drr
s+1
R
R =
1
2
s(s + 1) < r
s3
>
_
0
drr
s+1
(R
)
2
, (2.58)
Now multiplying the radial SE for the hydrogen atom,
R
l
+
2
r
R
l
+
_
2
ar
l(l + 1)
r
2
1
(na)
2
_
R
l
= 0 (2.59)
by r
s+2
R
+ cr
s+1
R one obtains
_
0
drr
s+2
R
l
R
l
+ 2
_
0
drr
s+1
(R
l
)
2
+
_
0
dr
_
2
a
r
s+1
l(l + 1)r
s
1
(na)
2
r
s+2
_
R
l
R
l
+c
_
0
drr
s+1
R
l
R
l
+ 2c
_
0
drr
s
R
l
R
l
+ c
_
2
a
< r
s
> l(l + 1) < r
s1
>
1
(na)
2
< r
s+1
>
_
=
s + 2
2
_
0
drr
s+1
(R
l
)
2
+ 2
_
0
drr
s+1
(R
l
)
2
s + 1
a
< r
s2
> +
1
2
l(l + 1)s < r
s3
>
+
s + 2
2(na)
2
< r
s1
> +c
_
s
2
(s + 1) < r
s3
>
_
0
drr
s+1
(R
l
)
2
_
cs < r
s3
>
+c
_
2
a
< r
s2
> l(l + 1) < r
s3
>
< r
s1
>
(na)
2
_
= 0 (2.60)
Now one can chose c in order to eliminate the terms with R
l
: c = (s 2)/2. Then
s < r
s1
>
1
(na)
2
2s 1
a
< r
s2
> +
s 1
4
_
(2l + 1)
2
(s 1)
2
< r
s3
>= 0
s + 1
(na)
2
< r
s
>
2s + 1
a
< r
s1
> +
s
4
[(2l + 1)
2
s
2
] < r
s2
>= 0 (2.61)
and (Bransden QM 372, using the generating function)
< r >=
1
2
_
3
l(l + 1)
n
2
_
n
2
a, < r
2
>=
1
2
_
1 + 5n
2
3l(l + 1)
n
2
a
2
_
1
r
_
=
1
n
2
a
,
_
1
r
2
_
=
2
(2l + 1)n
3
a
2
,
_
1
r
3
_
=
2
l(l + 1)(2l + 1)n
3
a
3
(2.62)
2.4. SCHR
> =
_
n
2Z
_
J
+1
n+l,2l+1
J
1
n+l,2l+1
with
J
,
=
!
( )!(s + 1)!
s
r=0
(1)
s
_
s
__
+
s
_
_
+ s
s + 1
_ , = (1 + s) 1
It can be shown by using the FeynmanHellman theorem, and using recurrence relations.
35. Obtain I
nk,n
k
=
_
0
d e
L
k
n
()L
k
n
() (Bransden AM 610)
36. Obtain the expectation value of v = p/m (the velocity vector), for a hydrogenic atom in
its ground state.
Hint: = u
r
/r + u
(1/r) / + u
)
86 CHAPTER 2. SCHR
ODINGER EQUATION 3D
Chapter 3
Quantum Mechanics Formalism
3.1 Mathematical framework
3.1.1 Hilbert Spaces
1. As we have seen Quantum Mechanics is based on linear operators (like x, p = i, L,
H, etc.) that in many cases do not commute, like [x
i
, p
j
] = i
ij
.
2. In general these operators O are realized or represented on Hilbert spaces and are diago
nalized O
n
=
n
n
: the eigenvalues,
n
and eigenvectors
n
.
3. A Hilbert space, H is then expanded by the elements or vectors =
n
a
n
n
(nite
or innite) (or [ >=
n
a
n
[n > ket in the Dirac notation) with arbitrary complex
numbers a
n
.
4. For each Hilbert space one can construct a Dual space constituted by the dual vectors.
5. They are dened in such that for each element (or [ >) in H one associate a unique
element of the Dual space, noted as
1
x
n
_
, < x[y >=< x, y >=
n
k=1
x
k
y
k
(3.1)
They are used in the Angular Momenta and spin case, for example.
87
88 CHAPTER 3. QUANTUM MECHANICS FORMALISM
(b) Functions spaces, /
2
whose elements are functions (x), the dual is the complex
conjugate and the inner product is < [ >=< , >=
_
(x)(y)d(x), where
(x) is a given measure. A very common case in QM are functions like those of the
SturmLiouville Theory (Arfken 497, etc.) used in the previous chapters
More formally a Hilbert Space is a vectorial space (H) (with: Closure, Associativity, Null
element, inverse, linearly independent. Arfken p. 12,) with:
1. an inner or scalar product (like the cases given above) with the following properties:
(a) < [ >=< [ >
(b) ([
1
> +a[
2
>)
([
3
> +b[
4
>) =<
1
[
3
> +b <
1
[
4
> +a
<
2
[
3
>
+a
b <
2
[
4
>.
(c) Norm: each element has a norm, 0 [[
2
=< [ >.
i. The norm vanish for the Null vector.
ii. If the norm is one, the vector is called a unitary vector.
iii. If the inner product of two, neither of which is a null vector is zero the two
vectors are said to be orthogonal.
2. Completeness (Closure): There exists a complete set or basis: [n > such that
(a) their elements are orthogonal: < n[m >=
nm
(like the usual unitary vectors in
ndimensions, the eigenfunctions of a given operator
n
(x), etc.) and
(b) any element of H can be written in a unique way as [ >=
n
a
n
[n > with a
n
=<
n[ >.
(c) An equivalent form of completeness is
n
[n >< n[ = 1 .
(d) or in the version of functions
(x) =
n
a
n
n
(x) with a
n
=< n[ >=
_
m
(x)(x) and equivalently (x y) =
n
(x)
m
(y)
.
(e) One example is the case of the innite potential well, where completeness means,
2
a
n=1
sin
_
nx
a
_
sin
_
ny
a
_
= (x y) (3.2)
(f) Another meaning of completeness is as follows: Every Cauchy sequence (a sequence
such that [
n
l
[ 0 when n and l tend to innity) converges to an element is
the space : The Hilbert space contains all its limits .
3.1. MATHEMATICAL FRAMEWORK 89
3. One important property of the Hilbert spaces is the Schwarz inequality (Arfken 527):
[ <
1
[
2
> [ [
1
[ [
2
[, cos =
[ <
1
[
2
> [
[
1
[ [
2
[
(3.3)
Notice that one can dene, then the angle between any two vectors.
Proof:
(a) Let = [
1
> +a[
2
>, then
(b) [[
2
= [
1
[
2
+ a
<
2
[
1
> +a <
1
[
2
> +[a[
2
[
2
[
2
0.
(c) Choosing a = <
2
[
1
> /[
2
[
2
and replacing
(d) [[
2
= [
1
[
2
[ <
1
[
2
> [
2
/[
2
[
2
0 that is the Schwarz identity.
3.1.2 Operators
Now we can dene operators f as a prescription by which every vector in the Hilbert space it is
associated to another one, or it is a function of the other: = f. Special case are the Linear
operators: those that satisfy the relation f(a
1
+ b
2
) = af
1
+ bf
2
. Antilinear Operators
are those satisfying f(a
1
+ b
2
) = a
f
1
+ b
f
2
. Several properties are
1. The eigenvalues and eigenvectors of an operator f are dened as f
n
= f
n
n
. Important
cases are
x[x >= x[x >, p[p >= p[p >,
H[E >= E[E > (3.4)
and (x) < x[ >, (p) (2)
3/2
< p[ > and
n
(x) (2)
3/2
< n[ >.
2. Adjoint operator, or Hermitian conjugate (f
): It is dened as < [f
(or f
nl
= f
ln
) for any two states. It can be shown that (see exercises):
(a) the adjoint of a complex number is its complex conjugate,
(b) [ >
=< [
(c) (f[ >)
=< [f
(d) (fg)
= g
.
(e) Transpose Operator is dened as < [f
T
[ >=< [f[ > (or f
T
nl
= f
ln
) is dened
as.
3. For any operator its matrix elements are dened as f
nm
< n[f[m >=
_
dx
n
f
m
.
f =
ij
[i >< i[f[j >< j[ =
ij
f
ij
[i >< j[
90 CHAPTER 3. QUANTUM MECHANICS FORMALISM
4. Spectral decomposition: f =
n
f
n
[n >< n[ with f[n >= f
n
[n >. This is the Kernel of
the operator. For functions one can have F(x, y) =< x[f[y >=
n
f
n
< x[n >< n[y >=
n
f
n
n
(x)
n
(y). Is this possible by the Spectral Theorem by von Neuman.
5. Projection operators: Dened as P
n
= [n >< n[. They satisfy the following properties:
(a) P
n
P
m
=
nm
P
n
. P
n
P
m
= [n >< n[m >< n[ = [n >
nm
< n[ =
nm
P
n
(b)
n
P
n
= 1
(c) P
n
=
j=n
[f f
j
]/[f
n
f
j
]
Hermitian Operators
Hermitian Operators are those such that A
mn
) and f
nm
= f
mn
= f
nm
. Other properties of Hermitian Operators are:
1. The sum of two Hermitian operators is Hermitian too.
2. The product of two Hermitian operators is Hermitian if and only if they commute. (fg)
=
g
and i(F F
) is always Hermitian.
4. The identity, r, p, H = p
2
/2m + V (r), L, etc. are hermitian.
5. Their expected values and their eigenvalues are real:
< A >=< [A[ >=< [A
[ >
=< A >
(3.5)
QED. The second case a particular case (when [ > is one of its eigenvalues).
6. The eigenfunctions of a Hermitian operator are orthogonal.
Proof: Given two eigenvectors, f[n >= f
n
[n > and f[m >= f
m
[m > one can take the
crossed products < m[f[n >= f
n
< m[n >, < n[f[m >= f
m
< n[m > and subtract them
to have (f
n
f
m
) < m[f[n >=< m[f[n > < m[f
[n >=< m[(f f
m
n=0
a
n
n
]
2
w(x)dx = 0)by a series like f(x) =
n
a
n
n
. Arken 523.
8. Two commuting Hermitian operators can be diagonalized simultaneously. Proof:
(a) Let f and g be two commuting operators and f[n >= f
n
[n >, we have to show that
g[n >= g
n
[n >. Taking the combinations 0 =< m[[g, f][n >= (f
n
f
m
) < m[g[n >
whose solution has the form < m[g[n >= g
n
nm
. Given that < m[n >=
nm
it is
concluded that < m[(g g
n
)[n >= 0 and g[n >= g
n
[n >.
3.1. MATHEMATICAL FRAMEWORK 91
(b) The proof in the other direction goes as follows: Let [n > be a eigenvalue of f and
g: f[n >= f
n
[n > and g[n >= g
n
[n >. Now taking the combinations gf[n >=
f
n
g
n
[n > and fg[n >= f
n
g
n
[n > and subtracting them one arrive to the relation
(gf fg)[n >= 0 for any eigenstate, thus it can be concluded they
3.1.3 Representations
A general principle is that Physical properties of a given system are determined by the commu
tation relations of their dynamical variables, like canonical quantization, [p
q
, q] = i. However
commutation relations do not determinate completely the operators and on the contrary there
are innite sets of operators satisfying the commutation relations: they are the representations
of the group on a given Hilbert space. For example the following three sets of operators satisfy
the [x, p] = i commutation relations:
1. x, p = i
2. x = i
p
= i
p
, p
3.
x =
1
2
_
_
_
_
_
_
_
0
1 0 0
1 0
2 0
0
2 0
3
0 0
3 0
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
, p =
i
2
_
_
_
_
_
_
_
0
1 0 0
1 0
2 0
0
2 0
3
0 0
3 0
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
(3.6)
Unitary transformation
A unitary transformation for operators is dened as f f
= UfU
, with UU
= 1 and
U for vectors. It has the following properties:
1. Commutation relations are maintained: [f, g] = h becomes [f
, g
] = h
.
2. Expectation values do not change either
3. Any hermitian operator can be diagonalized by a unitary transformation
4. Two commuting hermitian operators are diagonalized by the same unitary transformation.
Momentum and conguration(normal) spaces
Of particular interest are the space and momenta representations, where the operators, their
eigenvalues and their eigenfunctions are dened as: x[x >= x[x > and p[p >= p[p >. The
wavefunction is then dened as (x) =< x[ > and (p) = (2)
3/2
< p[ > in the space
and momenta representations, respectively. On another side < x[ p[p >= p < x[p > and
p < x[p >= i < x[p >= p < x[p >, whose solution is < x[p >= exp[ip x]/(2)
3/2
92 CHAPTER 3. QUANTUM MECHANICS FORMALISM
where the normalizing condition < x[y >= (x y) was used. Thus one obtain the Fourier
transformation relation
(p) = (2)
3/2
< p[ >= (2)
3/2
_
dx < p[x >< x[ >=
_
dxe
ipx
(x)
(x) =< x[ >=
_
dp < x[p >< p[ >=
_
dp
(2)
3
e
ipx
(p) (3.7)
Linear potential, momentum space
Another case is the linear potential (Yndurain 263) V = Fx. The SE, in momentum space is
(boundary conditions)
H(p) =
_
p
2
2m
+ iF
p
_
(p) = E(p)
(p) = C exp[i(p
3
/6mEp)/F]
(x) = C
_
0
dp cos[px Ep/F + p
3
/6m] = (2mF)
1/3
[(2mF)
3/2
(x E/F)] (3.8)
Harmonic oscillator, momentum space
As an example one can solve the harmonic oscillator in pspace as follows:
H(p) =
_
p
2
2m
+
1
2
m
2
x
2
_
(p) =
_
p
2
2m
1
2
m
2
2
p
2
_
(p) = E(p) (3.9)
that has the same form of the Schr odinger Equation in the space representation. Taking
p = z the equation becomes
d
2
dz
2
+ [ z
2
] = 0 (3.10)
with = 2E/ = 2mE/
2
,
2
= m. The normalized wavefunction, in momenta space is
then (Boundary conditions in this case is that (p ) = 0)
n
(p) =
1
2
n
n!
exp[z
2
/2]H
n
(z) A
n
exp[z
2
/2]H
n
(z) E
n
= (n + 1/2) n = 0, 1, 2 . . . (3.11)
3.1. MATHEMATICAL FRAMEWORK 93
Harmonic Oscillator, Matrix formulation
In order to solve the Harmonic oscillator let us dene the creation or rising and annihilation
or lowering operators (ladder operators) and its commutator ([x, p] = i,
2
= m, = x)
x =
1
2
_
a + a
_
, p =
i
2
_
a
a
_
, a =
2
_
x +
ip
2
_
, a
2
_
x
ip
2
_
(3.12)
and [a, a
a +
1
2
_
=
_
N +
1
2
_
(3.13)
where N is the hermitian Number operator as N = a
a.
[H, a] = a, [H, a
] = a
, [N, a] = a, [N, a
] = a
(3.14)
The eigenvectors and eigenvalues of N are dened as N[n >= n[n >, and are eigenvectors
and eigenvalues of H too: H[n >= (n + 1/2)[n >= E
n
[n > (E
n
= (n + 1/2)). Therefore it
is enough to diagonalize N. In order to do that let us show
N
_
a
[n >
_
=
_
a
N + a
_
[n >= (n + 1)
_
a
[n >
_
N (a[n >) = (aN a)[n >= (n 1) (a[n >) (3.15)
so a
[n >=
n
[n + 1 > (so a
[n >= [
n
[
2
=< n[a
n
=
_
E
n
/ 1/2 =
[n >=
n
0
[n
0
1 >= 0) so n
0
= 0. Additionally n has to be integer. The reason is that if it is not,
one can start with that state, [n > and by lowering enough times: a
[n]+1
[n >= fa[n [n] >=
f
_
n [n][n [n] 1 >, ending below the ground state n
0
= 0. Thus H is diagonal, and
E
n
= (n +1/2) as it has to be. What happened to the boundary conditions?, didnt we need
them?
The wavefunction,
n
(x) < x[n > can be obtained too. Starting with the ground state:
0 =< x[a[0 >=< x[
2
_
x +
ip
2
_
[0 >=
2
_
x +
1
2
d
dx
_
0
(3.17)
94 CHAPTER 3. QUANTUM MECHANICS FORMALISM
so
0
has to satisfy the equation
0
=
2
x
0
, which solution is
0
=
_
/
exp[
2
/2].
The other ones can be obtained, in agreement with the Schr odinger solution of eq. (1.50) by
applying the rising opertator, p.e.:
1
=< x[1 >=< x[a
[0 >=
_
/
2
_
(x
0
+
0
/
2
), and so
on. Finally the matrix x, p and so on can be obtained, satisfying their commutation relation
are given in eq. (3.6). Easily one obtains
H =
p
2
2m
+
m
2
2
x
2
=
1
2m
_
2
2
_
_
_
_
_
_
_
_
1 0
2 0
0 3 0
2 0 5 0
0
6 0 7
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
+
m
2
2
1
2
2
_
_
_
_
_
_
_
1 0
2 0
0 3 0
2 0 5 0
0
6 0 7
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
=
2
diag. (1, 3, 5, 7, ) (3.18)
3.2 Quantum Mechanics Formalism
Once the mathematical platform is settled one can construct the Physics on it, by assum
ing several postulates that may be conrmed or not by testing the corresponding predictions
experimentally. A set of Postulates for Quantum Mechanics my be:
3.2.1 Postulate I
Classical Observables become Hermitian Operators, whose commutation relations are consistent
with [q
i
, p
j
] = i
ij
and the result of any measurement is one of their eigenvalues.
Complete set
A set of observables is said to be Complete if a) they commute, so can be diagonalized simul
taneously b) once all the observables are diagonalized no degeneracy remains. One example
is the hydrogen atom: a complete set is given by H, L
2
and L
z
. An important case is the
minimal set, that is the minimal complete set needed to describe the system. In this case any
physical state can be written as a linear superposition =
n
a
n
n
, where
n
is simultaneously
eigenstate of all the observables in a minimal complete set.
Heisenberg principle
In general for two noncommuting observables (hermitian) ([f, g] = ih) one has that fg
[ < h > [/2. The proof goes as follows:
3.2. QUANTUM MECHANICS FORMALISM 95
(f)
2
< [(f)
2
[ >= [f[ >[
2
(3.19)
with f = f < f >. Multiplying them one obtains that
(f)
2
(g)
2
= [f[ >[
2
[g[ >[
2
[< f[g[ >[
2
= [< [fg[ >[
2
=
1
4
[< [ f, g + [f, g] >[
2
=
1
4
[< [ f, g + ih[ >[
2
1
4
[ < h > [
2
(3.20)
3.2.2 Postulate II
There exists a vector (continuous and dierentiable) containing all the physical information
of the system. Besides < f >=< [f[ >, for any Observable. If the system is in the sate
the probability to nd it in the state is [ < [ > [.
3.2.3 Postulate III
Once one observable is measured, with value f the systems ends up (collapses) in the corre
sponding state [f >.
3.2.4 Postulate IV, Dynamics
The Schr odinger Picture
In the Schrodinger picture the vectors evolve in time, while the operators are constant. The
time evolution of the system is driven by the Hamiltonian: i[(t) >
S
/t = H[(t) >
S
and
[(t) >
S
= exp[itH][(0) >
S
U(t)[(0) >
S
, f(t) = f(0) (3.21)
The expectation values (< f >=< [f[ >) evolve as
i
d < f >
dt
=< [f, H] > +i
_
f
t
_
(3.22)
Noethers Theorem: One can see that Constants of motion are obtained if two condi
tions are satised: 1) [f, H] = 0, so f is the generator of a symmetry, and 2) f does not depend
explicitly of time. Examples: in the hydrogen atom H, L
2
, L
z
satisfy these two requirements
so their quantum numbers E
n
, l and m are constants of motion, or conserved. On the contrary
p is time independent but do not commute with the hydrogen atom hamiltonian so it is not
conserved.
96 CHAPTER 3. QUANTUM MECHANICS FORMALISM
Ehrenfest Theorem: The Classical Physics is a limit of the Quantum one:
d < p >
dt
= i [p, H]) +
_
p
t
_
= i
__
p,
p
2
2m
+ V (r)
__
= i [p, V (r)]) = V ) =< F > (3.23)
so Newtons second law is valid on the expectation values.
Virial Theorem:
d < r p >
dt
= i [r p, H]) +
_
r p
t
_
= i [r p, H]) =
_
p
2
m
ir [p, V (r)]
_
=
_
p
2
m
r [V (r)]
_
(3.24)
For an stationary state d < r p > /dt = 0 and the Viral Theorem is nally obtained
2 < K >= r [V (r)]) (3.25)
Oscillations
In the case of mixing one can have an oscillating system, X
0
X
0
There are many examples
like X
0
= B
0
, D
0
, D
0
s
, K
0
the NH
3
and polar molecules (see Townsend 111), neutrinos, etc.
One can have time dependent asymmetries. In this case the time evolution is controlled by the
Schr odinger equation
i
= H, H = M
i
2
=
_
M
11
i
2
11
M
12
i
2
12
M
21
i
2
21
M
22
i
2
22
_
=
_
A p
2
q
2
A
_
,
q
p
=
12
i
12
/2
M
12
i
12
/2
=
V
tb
V
td
V
tb
V
td
= e
2i
for q = d (3.26)
with M and hermitian, and CPT implies that M
11
= M
22
. And Their eigenvalues and
eigenfunctions are
H
hl
= E
hl
hl
E
hl
= A pq = m
h,l
i
2
h,l
hl
=
1
_
[p
2
[ +[q
2
[
_
p
q
_
=
1
_
2(1 +
2
)
_
1
(1 + )
_
(3.27)
with (p q)/2p, p = 1 and q = 1 + . The time dependant wave function is
(t) = a
h
e
iE
h
t
h
+ a
l
e
iE
l
t
l
(3.28)
For a given initial conditions at t = 0 like
(t = 0) = [X
0
) =
_
1
0
_
(t = 0) = [
X
0
) =
_
0
1
_
(3.29)
3.2. QUANTUM MECHANICS FORMALISM 97
The time dependant wave function is given as (for f
CP
= f)
(t) = [X
0
(t) >= g
+
(t)[X
0
> +
q
p
g
(t)[
X
0
>,
(t) = [
X
0
(t) >=
p
q
g
(t)[X
0
> +g
+
(t)[
X
0
>
g
(t) =
1
2
(e
iEnt
e
iE
l
t
) =
1
2
e
h
t/2
e
iE
h
t
[1 e
it/2
e
imt
] =
1
2
e
iAt
[e
ipqt
e
ipqt
] (3.30)
where m E
h
E
l
,
h
l
, been dened as positive
Heisenberg Picture
In this case the vectors are constant while the operators evolve in time
[(t) >
H
= [(0) >= e
iHt
[(t) >
S
, f
H
= e
iHt
f
S
e
iHt
i
df
H
dt
= i
f
H
t
+ [f
H
, H] (3.31)
Time evolution of the harmonic oscillator Working in the Heisenberg representation,
where the states are constant and the operators evolve in time. According to Heisenberg
dp
dt
=
x
V (x) = m
2
x
dx
dt
=
p
m
(3.32)
that can be decoupled and solved by writing them in the base of the ladder operators
da
dt
= ia,
da
dt
= ia
a(t) = a(0)e
it
, a
(t) = a
(0)e
it
(3.33)
So the Hamiltonian and the number operator are time independent, as they should be. The
position and momenta operators can be obtained:
x(t) = x(0) cos t +
p(0)
m
sin t
p(t) = mx(0) sin t + p(0) cos t (3.34)
the same of the classical case.
Interactive Picture
In this case the hamiltonian is splitted as H = H
0
+ H
I
and the vector evolve with H
0
(that
may be the free part) while the operators evolve with H
I
(the interaction part):
98 CHAPTER 3. QUANTUM MECHANICS FORMALISM
[(t) >
I
e
iH
0
t
[(t) >
S
, f
I
= e
iH
0
t
f
S
e
iH
0
t
[(t) >
I
= e
iH
t
[(0) >
I
, i
df
I
dt
= i
f
I
t
+ [f
I
, H] (3.35)
and < [f[ >
I
=< [f[ >
H
=< [f[ >
S
.
3.3 Interpretation
1. From the very begin QM interpretation in several cases has been a very controversial and
dicult topic [QM history, QM interpretation].
2. From one side QM predictions have been tested at a very high level of precision like
for example the 2s 1s (2 emission) for the hydrogen atom was measured to be
2s1s
= 2 466 061 413 187 103(46) hz (see ref. M. Niering, et al. in [Lamb]), Quan
tum Electrodynamics (QED) [?], etc. Many more examples come from Atomic Physics
(hyperne, Raman rotational spectroscopy etc. in the low energy range), Chemistry,
Condensed matter, Quantum Optics, Particle Physics (e
e
+
W
W
+
, etc. in the high
energy limit at E 200 GeV [PDG]) etc.
3. Unfortunately this is not always the case and in many regions need to be explored or
tested with better precision.
4. Thus QM interpretation is still a controversial.
5. The most accepted interpretation is the so called Copenhagen Interpretation, but many
have never accepted it for dierent reasons.
6. These discussions were at the begin based on philosophical arguments and gedanken
experiments.
7. Fortunately as new technologies have been available it has been possible to realize several
of these almost impossible experiments and many others.
8. and sometimes fruitful topics like Quantum computation, Entangled particles, Telepor
tation and so on [QM interpretation, Q Computation].
3.3.1 Copenhagen Interpretation
The so called Copenhagen QM interpretation (Park chap. 10) was due mainly to Bohr,
Heisenberg, Born, Pauli, Jordan, Neuman, etc. The main ingredients are enumerated below
[Copenhagen, QM interpretation], together with several experimental situations where inter
pretation has been dicult, unexpected or controversial.
3.3. INTERPRETATION 99
Figure 3.1: Quamtum jumps [Bell].
1. Take = [[
2
as the probability density (BornSchr odinger). is symbolic not pictorial.
It can seen in particle decays and scattering, like K
+
decays even if the initial kaons are
exactly the same the nal particles can be predicted only in a probabilistic way, as it is
shown in the accompanying table where the experimental measurements are shown.
BR R(a b)[PDG] BR R(a b) [PDG]
K
+
63.51 % K
+
0
21.16 %
K
+
5.6 % K
+
3.2 %
K
+
0
1.7 % K
+
e
+
e
1.55 10
5
K
+
8 10
8
K
+
+
2 10
10
Table 1: Several Branching ratios for the K
+
 decay. Its lifetime is
K
+ = 1.2386(24)10
8
sec [PDG].
Another place where this interpretation can be seen are in the one or more slits exper
iments with one by one particle (electron, photon, neutron, etc) or with many at the
same time [6, 7]. In the case of oscilations (K
0
K
0
, etc. [PDG]) one has the same
phenomena and so on.
2. The Heisenberg uncertainty principle, for any two nonconmuting observables.
3. Wholeness or indivisibility of Quantum states, QM is complete (BohrEinstein discus
sions). The use of probability is not like in Statistical Mechanics but it is at a more
fundamental level.
4. Complementarity or waveparticle duality (Bohr at lake Como conference in 1927). The
waveparticle duality it is illustrated by one or more slits like gratings (crystals) diraction
and interference experiments [7, 6, Q and Classical].
100 CHAPTER 3. QUANTUM MECHANICS FORMALISM
5. The observer (Observers role) may aect the result of a measurement. Collapse of the
wavefunction [QM observer]. If before the measurement the wavefunction is =
n
a
n
n
once the measurement is realized and a value f
n
is obtained the wave function is instan
taleusly projected everywhere in the space to
n
!.
6. Correspondence principle (n ), Quantum to classical [QM paradoxes, Q and Classical].
coherence and decoherence. Entanglement. Teleportantion. Quantum computation.
Quantum Cryptography. Schr odingers cat, etc.
Objections and discomforts to this interpretations came from Einstein, Schr odinger, De
Broglie, etc. A short list may goes as
1. Its fundamental indeterminism
2. nolocality
3. the role of the observer
4. the uncompleteness of the theory
5. its apparent non intuitive predictions
Thus alternative interpretations have been developed to explain the polemic points, un
fortunately arising new and even more bizarre phenomena. One can recall the Ocams razor
principle (12851349): It is vain to do with more what can be done with fewer
3.3.2 Other interpretations
1. Statistical Interpretation: (see L. Ballantine in ref. [non Copenhagen, QM interpretation])
Valid for ensambles of particles.
2. Hidden Variables: (see ref. [QM interpretation, QM paradoxes, Bell]).
(a) This interpretation try to account for the determinism and uncompleteness of the
theory: The probabilistic interpretation is a consequence of QM partial description
of reality. A more complete theory including somehow unknown (by the moment)
or hidden variables may give us a complete and deterministic description of reality.
(b) A particular case is the BohmDeBroglie interpretation with its pilot wave.
(c) This theory invoke new forces to explain the interaction between the pilot wave
and the particles. One can recall the Ocams razor principle.
(d) A concrete theory of this kind was enounced by Bohm and a concrete test was
propossed by Bell as will be treated below. The experiment was realized and was
not favorable to the hidden variables ideas.
3. Manyworlds: (see B. DeWitt in ref. [non Copenhagen, QM interpretation])
4. Other interpretations: Decoherent histories (Omnes). Consistent histories (GellMann,
Griths). Transactional interpretation (J. Cramer). Ithaca interpretation.
3.3. INTERPRETATION 101
3.3.3 Paradoxes
Schr odingers cat
1. Formulated by Schr odinger [QM paradoxes, QM observer, Q and Classical] in 1935.
2. It arises when QM ideas are taken to the macroworld.
3. A cat is enclosed in a box in such way we can not see its interior. Inside, with the cat a
radioactive source, a trigger system and a poisson are enclosed.
4. The source has 0.5 probability of decay in a given time and of course 0.5 of not.
5. Once the decay is produced the trigger system is activate and the poisson is splited so
the cat dies.
6. The box is open after the given time and one can see the result.
7. In some sense the experiment has been done and it is in agreement with the Copenhagen
interpretation [Q Computation].
EPR paradox:
1. Einstein in particular express its feeling the Copenhagen interpretation was not complete
and try to nd the fails of (The theory yield a lot, but it hardly brings us any closer
to the secret of the Old One. In any case I am convinced that He does not throw dice,
Einstens letter to Born, December 4 1926).
2. One of the fails of the interpretation was the nonlocality (or spooky action at a distance
as he called it) of the theory: the correlations between entangled parts of a given system
separate by timelike intervals.
3. Born and Heisenberg at the 1927 Solvay physics conference in Brussels declare QM was a
complete theory (We regard QM as a complete theory for which the fundamental physical
and mathematical hypotheses are not longer susceptible of modication, Heisenberg and
Born paper at the Solvay Congress of 1927).
4. Part of Einsteins views were published in 1935 and are known as the EPR (by Einstein,
Podolsky and Rosen ) paradox [QM paradoxes]. In the paper they ask three conditions
any physical theory has to satisfy:
(a) Locality
(b) Realism Within this line of reasoning, whether or not we can assign an element
of reality to a specic polarization of one of the systems must be independent of
which measurement we actually perform on the other system and even independent
of whether we care to perform any measurement at all on that system. To put it
dramatically, one experiment could be performed here on earth and the other on a
planet of another star a couple of light years away.
102 CHAPTER 3. QUANTUM MECHANICS FORMALISM
(c) Following EPR one can apply their famous reality criterion, If, without in any way
disturbing a system, we can predict with certainty (i.e., with probability equal to
unity) the value of a physical quantity, then there exists an element of physical reality
corresponding to this physical quantity.
(d) This would imply that to any possible polarization measurement on any one of
our photons we can assign such an element of physical reality on the basis of a
corresponding measurement on the other photon of any given pair.
5. (EPR)[QM paradoxes] analyzed a thought experiment to measure position and momen
tum in a pair of interacting systems.
6. Employing conventional quantum mechanics, they obtained some startling results, which
led them to conclude that the theory does not give a complete description of physical
reality.
7. Their results, which are so peculiar as to seem paradoxical, are based on impeccable
reasoning, but their conclusion that the theory is incomplete does not necessarily follow.
8. Bohm simplied their experiment while retaining the central point of their reasoning; this
discussion follows his account.
(a) The proton has spin 1/2; thus, no matter what direction is chosen for measuring the
component of its spin angular momentum, the values are always +1/2 or 1/2.
(b) It is possible to obtain a system consisting of a pair of protons in close proximity
and with total angular momentum equal to zero, they are entangled.
(c) Thus, if the value of one of the components of angular momentum for one of the
protons is +1/2 along any selected direction, the value for the component in the
same direction for the other particle must be 1/2.
(d) Suppose the two protons move in opposite directions until they are very far apart.
(e) The total angular momentum of the system remains zero, and if the component of
angular momentum along the same direction for each of the two particles is measured,
the result is a pair of equal and opposite values.
(f) Therefore, after the quantity is measured for one of the protons, it can be predicted
for the other proton; the second measurement is determined.
(g) As previously noted, measuring a quantity changes the state of the system. Thus,
if measuring S
x
(the xcomponent of angular momentum) for proton 1 produces the
value +1/2, the state of proton 1 after measurement corresponds to S
x
= +1/2, and
the state of proton 2 corresponds to S
x
= 1/2.
(h) Any direction, however, can be chosen for measuring the component of angular
momentum. Whichever direction is selected, the state of proton 1 after measurement
corresponds to a denite component of angular momentum about that direction.
3.4. SELECTED PHENOMENOLOGY, INTERPRETATION AND APPLICATIONS 103
(i) Furthermore, since proton 2 must have the opposite value for the same component,
it follows that the measurement on proton 1 results in a denite state for proton 2
relative to the chosen direction, notwithstanding the fact that the two particles may
be millions of kilometers apart and are not interacting with each other at the time.
(j) Einstein and his two collaborators thought that this conclusion was so obviously false
that the quantum mechanical theory on which it was based must be incomplete.
(k) They concluded that the correct theory would contain some hidden variable feature
that would restore the determinism of classical physics.
9. A comparison of how quantum theory and classical theory describe angular momentum
for particle pairs illustrates the essential dierence between the two outlooks.
(a) In both theories, if a system of two particles has a total angular momentum of zero,
then the angular momenta of the two particles are equal and opposite.
(b) If the components of angular momentum are measured along the same direction, the
two values are numerically equal, one positive and the other negative.
(c) Thus, if one component is measured, the other can be predicted.
(d) The crucial dierence between the two theories is that, in classical physics, the
system under investigation is assumed to have possessed the quantity being measured
beforehand.
(e) The measurement does not disturb the system; it merely reveals the preexisting
state.
(f) It may be noted that, if a particle were actually to possess components of angular
momentum prior to measurement, such quantities would constitute hidden variables.
10. Does nature behave as quantum mechanics predicts?. A positive answer was given by the
A. Aspect experiments [Bell] as is going to see in the next section.
3.4 Selected Phenomenology, interpretation and appli
cations
3.4.1 Bell inequalities
1. J. Bell ( a british physicis) [Bell, Q Computation] began by assuming the existence of
some form of hidden variable with a value that would determine whether the measured
angular momentum gives a plus or minus result.
2. He further assumed localitynamely, that measurement on one proton (i.e., the choice
of the measurement direction) cannot aect the result of the measurement on the other
proton.
104 CHAPTER 3. QUANTUM MECHANICS FORMALISM
3. Both these assumptions agree with classical, commonsense ideas.
4. He then showed quite generally that these two assumptions lead to a certain relationship,
now known as Bells inequality, for the correlation values mentioned above.
5. The next step then is to assume the two entangled photons (systems) [Bell, Q Computation]
to be widely separated so that we can invoke EPRs locality assumption as given above.
6. It is this very independence of a measurement result on one side from what may be done
on the other side, as assumed by EPR, which is at variance with quantum mechanics.
7. Indeed, this assumption implies that certain combinations of expectation values have
denite bounds. The mathematical expression of that bound is called Bells inequality, of
which many variants exist.
8. Experiments have been conducted at several laboratories with photons instead of protons
(the analysis is similar), and the results show fairly conclusively that Bells inequality is
violated.
9. An earlier experiment by Wu and Shaknov (1950) had demonstrated the existence of spa
tially separated entangled states, yet failed to give data for nonorthogonal measurement
directions.
10. After the realization that the polarization entangled state of photons emitted in atomic
cascades can be used to test Bells inequalities, the rst experiment was performed by
Freedman and Clauser in 1972 (Fig. 6).
11. a version given by Clauser, Horne, Shimony, and Holt (1969)
12. The ones showing the largest violation of a Belltype inequality have for a long time been
the experiments by Aspect, Grangier, and Roger (1981, 1982) in the early eighties.
13. Alain Aspect and his coworkers in Paris demonstrated this result in 1982 with an ingenious
experiment in which the correlation between the two angular momenta was measured,
within a very short time interval, by a highfrequency switching device.
14. The two photons emitted in an atomic cascade in Ca are collected with lenses and, after
passage through adjustable polarizers, coincidences are registered using photomultiplier
detectors and suitable discriminators and coincidence logic.
15. The observed coincidence counts violate an inequality derived from Bells inequality under
the fair sampling assumption.
16. That is to say, the observed results agree with those of quantum mechanics and cannot
be accounted for by a hidden variable (or deterministic) theory based on the concept of
locality.
3.4. SELECTED PHENOMENOLOGY, INTERPRETATION AND APPLICATIONS 105
Figure 3.2: Bell inequalities violation [Bell].
17. One is forced to conclude that the two protons are a correlated pair and that a measure
ment on one aects the state of both, no matter how far apart they are. This may strike
one as highly peculiar, but such is the way nature appears to be.
18. It may be noted that the eect on the state of proton 2 following a measurement on
proton 1 is believed to be instantaneous; the eect happens before a light signal initiated
by the measuring event at proton 1 reaches proton 2.
19. The interval was less than the time taken for a light signal to travel from one particle to
the other at the two measurement positions.
20. Thus, there is no way that the information concerning the direction of the measurement
on the rst proton could reach the second proton before the measurement was made on
it. Several results are [Bell]
S = 2.697(15), S
QM
= 2.70(5), 2 S
OV
2
S = 0.853(9), (3.36)
where OV stands for Ocult variables or Local realism and the second measurement is
16 standard deviations from the OV bound.
106 CHAPTER 3. QUANTUM MECHANICS FORMALISM
3.4.2 Quantum Computing, Chriptography, Teleprotation, etc
There is more to information than a string of ones and zeroes the ability of quantum bits
to be in two states at the same time could revolutionize information technology.
In the mid1930s two inuential but seemingly unrelated papers were published. In 1935
Einstein, Podolsky and Rosen proposed the famous EPR paradox that has come to symbolize
the mysteries of quantum mechanics. Two years later, Alan Turing introduced the universal
Turing machine in an enigmatically titled paper, On computable numbers, and laid the foun
dations of the computer industry one of the biggest industries in the world today. Although
quantum physics is essential to understand the operation of transistors and other solidstate
devices in computers, computation itself has remained a resolutely classical process. Indeed
it seems only natural that computation and quantum theory should be kept as far apart as
possible surely the uncertainty associated with quantum theory is anathema to the reliability
expected from computers? Wrong. In 1985 David Deutsch introduced the universal quantum
computer and showed that quantum theory can actually allow computers to do more rather
than less. The ability of particles to be in a superposition of more than one quantum state
naturally introduces a form of parallelism that can, in principle, perform some traditional com
puting tasks faster than is possible with classical computers. Moreover, quantum computers
are capable of other tasks that are not conceivable with their classical counterparts. Similar
breakthroughs in cryptography and communication followed. This quantum information rev
olution is described in this special issue by some of the physicists working at the forefront of
the eld. Starting with the most fundamental of quantum properties singleparticle quantum
interference in twopath experiments they show how theorists and experimentalists are tackling
problems that go to the very foundations of quantum theory and, at the same time, oer the
promise of farreaching applications. Anton Zeilinger of the University of Innsbruck introduces
the fundamentals of quantum information quantum bits, entangled states, Bellstate measure
ments and so forth and outlines what is possible with quantum communication. The most
ambitious scheme, quantum teleportation, has recently been demonstrated with photons and
looks to be possible with atoms. The rst application of teleportation is, however, likely to be
in a quantum computer or communication system rather than anything more cinematic. Cryp
tography is the most mature area of quantum information and has now been demonstrated over
distances of ten of kilometres (and under Lake Geneva!). Once just the concern of special agents
and generals, cryptography now plays an important role in transactions over the Internet. On
page 41 of the March issue of Physics World Wolfgang Tittel, Grgoire Ribordy and Nicolas
Gisin of the University of Geneva explain how the very properties of quantum theory that so
puzzled Einstein et al . can be used to send messages with complete security. A common theme
in communication and cryptography is that many applications work best when classical and
quantum methods are used in tandem which is why Alice and Bob, the two central characters
in quantum information, are using the telephone in the illustration. Quantum computers are a
more distant proposition, but the rst logic gates have been demonstrated in the laboratory and
progress is being made on three fronts: trapped ions, photons in cavities and nuclear magnetic
resonance experiments. Recent years have also seen signicant progress in the development of
new algorithms for quantum computers. David Deutsch and Artur Ekert of the University of
3.4. SELECTED PHENOMENOLOGY, INTERPRETATION AND APPLICATIONS 107
Oxford present a progress report on page 47 and also delve into some of the deeper implications
of quantum theories of information. Of course it isnt all plain sailing. Quantum states are
notoriously delicate and interactions with the environment can cause a pure quantum state to
evolve into a mixture of states. This causes the quantum bit to lose two of its key properties:
interference and entanglement. This process, known as decoherence, is the biggest obstacle
to quantum computation, as David DiVincenzo IBM and Barbara Terhal of the University of
Amsterdam explain on page 53. However, theorists have developed schemes to correct the er
rors introduced by decoherence and also any inaccuracies generated by the quantum logic gates
themselves. Collaboration is a hallmark of the evergrowing quantum information community.
The European Union, for example, is funding a network of eight groups working on the Physics
of Quantum Information, while the Quantum Information and Computation collaboration in
the US has been awarded some $5 million over ve years by the Department of Defense. We
live in an information age that was founded on the applications of basic physics and in which
computer power continues to grow exponentially as the feature sizes in microelectronic circuits
become ever smaller. Quantum eects can be seen as a threat or an opportunity to this growth.
The quantum information technologies described in this issue may have a very long way to go
before they rival the sophistication found in their classical counterparts but, as Deutsch and
Ekert conclude, there is potential here for truly revolutionary innovation.
3.4.3 Transition from Quantum to Classical Physics
Bohrs Correspondence principle. Decoherence an coherence. Observers role [Q and Classical].
3.4.4 Historical quotations
To interpret Quantum Mechanics is not easy as one can see from the following quotes [QM interpretation]:
1. 1815, circa. P. Laplace (17491827): An intellect which at any given moment knows all
the forces that animate Nature and the mutual positions of the beings that comprise it, if
this intellect were vast enough to submit its data to analysis, could condense into a single
formula the movement of the greatest bodies of the universe and that of the lightest atom:
for such an intellect nothing could be uncertain; and the future just like the past would be
present before its eyes
2. 1894 A. Michelson, from his address at the dedication ceremony for the Ryerson Physical
Laboratory at the University of Chicago: The more important fundamental laws and facts
of physical science have all been discovered, and these are now so rmly established that the
possibility of their ever being supplanted in consequence of new discoveries is exceedingly
remote.... Our future discoveries must be looked for in the sixth place of decimals.
3. L. Kelvin, There is nothing new to be discovered in physics now, All that remains is more
and more precise measurement. He shared this sentiment at a celebration of his 50th
anniversary as professor in words that surely would have shocked his audience: One word
characterizes the most strenuous of the eorts for the advancement of science that I have
108 CHAPTER 3. QUANTUM MECHANICS FORMALISM
made perseveringly during 55 years. That word is failure. I know no more of electric and
magnetic forces or of the relation between aether, electricity and ponderable matter, or of
chemical anity than I knew and tried to teach to my students of natural philosophy 50
years ago in my rst session as professor.
There is nothing new to be discovered in physics now. All that remains is more and
more precise measurement. He shared this sentiment at a celebration of his 50th an
niversary as professor in words that surely would have shocked his audience: One word
characterizes the most strenuous of the eorts for the advancement of science that I have
made perseveringly during 55 years. That word is failure. I know no more of electric and
magnetic forces or of the relation between aether, electricity and ponderable matter, or
of chemical anity than I knew and tried to teach to my students of natural philosophy
50 years ago in my rst session as professor.
4. W. Pauli in the US, from a letter to R. Kronig, 25 May 1925. Physics is very muddled
again at the moment; it is much too hard for me anyway, and I wish I were a movie
comedian or something like that and had never heard anything about physics!
5. E. Schr odinger, I do not like it, and I am sorry I ever had anything to do with it.
6. N. Bohr, Those who are not shocked when they rst come across quantum mechanics
cannot possibly have understood it, If anybody says he can think about quantum problems
without getting giddy, that only shows he has not understood the rst thing about them.
7. Heisenberg and Max Born, paper delivered to Solvay Congress of 1927, We regard quan
tum mechanics as a complete theory for which the fundamental physical and mathematical
hypotheses are no longer susceptible of modication.
8. A. Einstein: Quantum mechanics is certainly imposing. But an inner voice tells me that
it is not yet the real thing. The theory says a lot, but does not really bring us closer to
the secret of the Old One. I, at any rate, am convinced that He is not playing at dice.
9. N. Bohr reply to Einsteins former comment: Einstein, stop telling God what to do
10. N. Bohr Any one who is not shocked by quantum mechanics has not fully understood it.
11. E. Schrodinger on Complementarity: an extravaganza dictated by despair over a grave
crisis.
12. Feynman: There was a time when the newspapers said that only twelve men understood
the theory of relativity. I do not believe that there ever was such a time... On the other
hand, i think is safe to say that no one understands quantum mechanics. ... Do not keep
saying to yourself, if you can possible avoid it, But how can it be like that? because you
will get down the drain into a blind alley from which nobody has yet escaped. Nobody
knows how it can be like that.
3.4. SELECTED PHENOMENOLOGY, INTERPRETATION AND APPLICATIONS 109
13. Richard Feynman: A philosopher once said It is necessary for the very existence of
science that the same conditions always produce the same results. Well, they do not. You
set up the circumstances, with the same conditions every time, and you cannot predict
behind which hole you will see the electron
14. R. Feynman: Philosophers say a great deal about what is absolutely necessary for science,
and it is always, so far as one can see, rather naive, and probably wrong.
15. Shut up and compute; Dirac, Feynman or Mermin (see N. Mermin in [QM interpretation]),
16. Murray GellMann: Niels Bohr brainwashed a whole generation of physicists into believ
ing that the problem [of the interpretation of quantum mechanics] had been solved fty
years ago, Acceptance speech Noble Price (1976).
17. R. Penrose, 1986: [QM] makes absolutely no sense
110 CHAPTER 3. QUANTUM MECHANICS FORMALISM
3.5 Formalism, exercises
1. Show that the completeness relation can be written as
n
[n >< n[ = 1, or (x y) =
n
(x)
m
(y)
A: [ >=
n
a
n
[n >=
n
[n >< n[ > so
n
[n >< n[ = 1. (x) =
n
a
n
n
(x) =
n
__
dy
n
(y)(y)
n
(x) =
_
dy [
n
(y)
n
(x)] (y) so
n
(x)
m
(y)
= (x y)
2. Show that the completeness relation for the space eigenvectors is
_
d x [x >< x[ = 1
and
_
dp [p >< p[ = 1 and is equivalent to the Fourier and inverse Fourier transforms
3. If =
n
a
n
n
, what is the physical information contained in the a
n
?
4. Find out what the completeness relation means for other cases like plane wave, harmonic
oscillator (Arfken), Legendre Polynomials, spherical harmonics A: Libo 767.
2
a
n=1
sin
_
nx
a
_
sin
_
ny
a
_
= (x y)
1
2
n=
e
in(xy)
= (x y)
_
d
3
k
(2)
2
e
ik(xy)
=
(3)
(x y)
n=1
1
2
n
n!
exp
_
1
2
(x
2
+ y
2
)
_
H
n
(x)H
n
(y) = (x y)
l=0
2l + 1
2
P
l
(x)P
l
(y) = (x y)
l=0
m=l
m=l
[Y
lm
(, )]
Y
l
m
(
) = (
) =
(
)(
)
sin
_
0
j
l
(kr)j
l
(kr
)k
2
dk =
2r
2
(r r
) (3.37)
5. Show that: i) c
= c
=< [f
, iii) (fg)
= g
, iv)
(f
= f, v) (cf)
= c
, vi) (f + g)
= f
+ g
.
A:
(a) < [c
=< [c
[ > and c
= c,
(b) < [f[ >=< [ (f[ >) =
_
(f[ >)
[ >
_
=< [f
[ >
so (f[ >)
=< [f
and
3.5. FORMALISM, EXERCISES 111
(c) < [(fg)
= [g[ >]
[< [f]
=< [g
[ >
so (fg)
= g
y
<
x[ p[y >< y[p >= p < x[p >. Using < x[ p[y >=< x[ i
d
dy
[y >= i(x y)
d
dy
one has
that i
d
dy
< x[p >= p < x[p > whose solution, with the appropriated normalization the
one given above.
7. Show that
(a) ([ >< [)
= [ >< [,
(b) Any f can decomposed into an hermitian and antihermitian part: f = H + I, with
H = (f +f
= I),
(c) if f and g are hermitian then (af + bf)
= a
+ b
[n >= f
2
n
[n >, and given that the eigenvalues of f are real, their squares are
positive. Besides < f
2
>=
n
[a
n
[
2
f
2
n
0.
8. Show that r, p, L, L
z
, L
2
, the Hamiltonian, etc. are hermitian. Are xp
x
, xp
y
, xp
2
x
, etc
hermitian?
A: < [p
=
__
dx
(i)
=
__
dx (i
=
__
dx
(i)
=<
[p[ >. They are or not, given they commute or not.
9. If f is hermitian show that exp[f] is hermitian too.
A: exp[f] = 1 + f + f
2
/2! + f
3
/3! + so (exp[f])
= exp[f].
10. If the states are transformed unitarity: U (with UU
)
(a) What should be the transformation property for the operator O so o < [O[ >
is invariant.
(b) What happens with the relation [O
1
, O
2
] = O
3
, when a unitary transformation is
applied?.
11. Show that E 0 for the harmonic oscillator case, using the Heisenberg uncertainty
principle (Landau 83).
12. Show that < N >= n 0
A: n =< N >=< n[a
)
n
[n >
112 CHAPTER 3. QUANTUM MECHANICS FORMALISM
14. Obtain x
nm
, x
2
nm
, p
nm
, p
2
nm
, etc., by using the creation and annihilation operators.
A: x = (a + a
)/
2 and p = i(a a
)/
2, so
x
nm
= < n[x[m >=
1
2
< n[a + a
[m >=
1
2
_
2
_
m
n,m1
+
m + 1
n,m+1
_
x
2
nm
= < n[x
2
[m >=
1
2
2
< n[a
2
+ (a
)
2
+ aa
+ a
a[m >=
=
1
2
2
_
_
m(m1)
n,m2
+ (2m + 1)
n,m
+
_
(m + 1)(m + 2)
n,m+2
_
(3.38)
15. Obtain x
3
nn
, p
3
nn
, x
4
nn
and p
4
nn
, by using the creation and annihilation operators.
A: x = (a + a
)/
2 and p = i(a a
)/
2, so
x
3
nn
= < n[x
3
[n >=
_
1
2
_
3
< n[(a + a
)
3
[n >= 0, p
3
nn
=
_
i
2
_
3
< n[(a
a)
3
[n >= 0
x
4
nn
=
1
4
4
< n[a
2
_
a
_
2
+
_
a
_
2
a
2
+
_
a
a
_
2
+
_
aa
_
2
+ aa
a + a
aaa
[n >
=
1
4
4
_
(n + 1)(n + 2) + n(n 1) + n
2
+ (n + 1)
2
+ 2n(n + 1)
=
3
2
4
_
n(n + 1) +
1
2
_
p
4
nn
=
4
4
< n[a
2
_
a
_
2
+
_
a
_
2
a
2
+
_
a
a
_
2
+
_
aa
_
2
+ aa
a + a
aaa
[n >
=
4
4
_
(n + 1)(n + 2) + n(n 1) + n
2
+ (n + 1)
2
+ 2n(n + 1)
=
3
4
2
_
n(n + 1) +
1
2
_
(3.39)
16. Is possible to measure x and p
x
with arbitrary precision?
17. Is possible to measure L
x
and L
z
with arbitrary precision?
18. Is possible to measure z and p
z
with arbitrary precision at the same time?
19. Is possible to measure L
x
and L
z
with arbitrary precision at the same time?
20. Is the virial theorem valid for an arbitrary state (no necessary a pure state)?
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Physics World, Aug.00; G. Collins, Schrodingers SQUID, Oct.2000; J. Clarke et al.,
Science 239, 992 (1988) review; C. van der Wal, et al., Science 290, 773 (2000); Physic
sweb Jul.00.
C. Monroe, D. Meekhof, B. King and D. Wineland, Science 272, 1131 (1996); J. Horgan,
Sci. Ame. jun.96. in an atom.
M. Greiner, C. Regal and D. Jin, Nature 426, 537 (2003). BEC?
Cryptography
R. Hughes and J. Nordholt, Quantum Cryptography takes to the air, Phys. World, May.
99, pag. 31
Lithography
J. Thywissen, M. Prentiss, Atom lithography using MRItype feature placement, New J.
Phys. 7, 47 (2005) [physics/0209084].
Chapter 4
Angular Momentum
One of the most fundamental facts of nature is the observed Isotropy and homogeneity of
the space (the cosmological principle). In spite of the observed anisotropy of the Cosmic
Background radiation observed?
4.1 Orbital Angular Momentum
For an arbitrary innitesimal rotation one has that (x
i
= ( x)
i
=
ijk
j
x
k
, see g. 4.1)
(r) (r + (r)) = (r) +
x
i
x
i
= (r) + i
ijk
r
i
p
j
k
= (r) + i (L
i
)
i
(4.1)
where L
i
=
ijk
x
j
p
k
and p
k
= i
k
([x
i
, p
j
] = i
ij
). It can be shown that
[L
i
, x
j
] = i
ijk
x
k
, [L
i
, p
j
] = i
ijk
p
k
, [L
i
, L
j
] = i
ijk
L
k
(4.2)
and [L
2
, L
i
] = 0 with L
2
= L
2
x
+ L
2
y
+ L
2
z
. Spherical coordinates are more appropriate
x = r sin cos , y = r sin sin , z = r cos
r =
_
x
2
+ y
2
+ z
2
, cos = z/r, tan = y/x (4.3)
The Jacobian of the transformations is
(r, , )
(x, y, z)
_
_
r/x r/y r/z
/x /y /z
/x /y /x
_
_
=
1
r
_
_
x y z
cos cos cos sin sin
sin
sin
cos
sin
0
_
_
(4.4)
(so [(r, , )/(x, y, z)[ = 1/r
2
sin
2
) and the Angular momenta operators become
119
120 CHAPTER 4. ANGULAR MOMENTUM
Figure 4.1: An innitesimal rotation
L
z
= i
, L
= L
x
iL
y
= e
i
_
+ i cot
_
L
2
=
1
sin
2
2
+
1
sin
sin
=
1
2
(L
L
+
+ L
+
L
) L
2
z
(4.5)
(L
2
= L
+ L
2
z
L
z
) and the commutator relations become
[L
+
, L
] = 2L
z
, [L
z
, L
] = L
, [L
z
, L
2
] = [L
, L
2
] = 0 (4.6)
4.1.1 Orbital Angular Momenta eigenvalues and Spherical harmon
ics
Obtain the eigenvalues of L
z
is easy: one has to solve the equation
L
z
() = i
z
() = m() (4.7)
that has the solution () = ae
im
, where m is the so called magnetic quantum number.
Given that the wavefunction has a unique value for each point one has the boundary condition
( + 2) = () so m has to be an integer. Thus the normalized solution is
m
() = e
im
/
2, m = 0, 1, 2, 3, (4.8)
4.1. ORBITAL ANGULAR MOMENTUM 121
Obtain the eigenvalues of L
2
can be done by solving the equation (see appendix)
L
2
=
_
1
sin
2
2
+
1
sin
sin
_
= ( + 1) (4.9)
with a complex number. Using the method of separation of variables: = ()()
one obtains
(1
2
)
m
2
1
2
+ ( + 1) = 0 (4.10)
with = cos . The general solution is = AP
m
() + BQ
m
Y
lm
=
_
(l m)(l m + 1)Y
l,m1
Y
lm
=
_
2l + 1
4
(l m)!
(l + m)!
_
1/2
(1)
m
e
im
P
m
l
(cos())
_
dY
lm
Y
l
m
=
ll
mm
(4.11)
with l = 0, 1, 2, 3, and for a given l, m = l, l + 1, l + 2, l. These properties are
consequences of the Associated Legendre Polynomials. Important properties of the spherical
harmonics are Y
l,m
= (1)
m
Y
lm
and the Parity transformation ( ) and + )
implies that
Y
lm
Y
lm
( , + ) =
_
2l + 1
4
(l m)!
(l + m)!
_
1/2
(1)
m
e
im(+)
P
m
l
(cos( )) = e
im
(1)
l+m
Y
lm
(4.12)
and P[lm >= (1)
l
[lm >. Examples of the Spherical harmonics are (see polar representa
tions in Fig. 2)
Y
00
=
1
4
; Y
10
=
_
3
4
cos , Y
11
=
_
3
8
e
i
sin ; Y
20
=
_
5
16
_
3 cos
2
1
_
Y
21
=
_
15
8
e
i
sin cos , Y
22
=
_
15
32
e
2i
sin
2
, (4.13)
122 CHAPTER 4. ANGULAR MOMENTUM
4.2 Angular Momenta, General case
4.2.1 Rotations group: SU(2) algebra
The transformation of eq. (4.1) is not the most general case because the wavefunction can be
rotated by itself (this is the case of the p. e. the electric eld). The wavefunction can have
components (again as the Electric eld). So in general
(r) e
iJ
(r) (4.14)
where
J are the angular momenta operators that by denition satisfy the commutation
relations
[J
i
, J
j
] = i
ijk
J
k
, with i, j, k = 1, 2, 3 or i, j, k = x, y, z (4.15)
a particular case is
J =
L of course. But we are interested in the most general case: what
are all the possible entities satisfying commutation relation of eq. (4.15). In the mathematical
language eq. (4.15) denes an algebra and eq. (4.14) give us the corresponding group, for
this particular case SU(2) the group of rotations. What we are looking is for the irreducible
representations of the SU(2) group [1, 2]. To do that we dene the rising and lowering
operators J
J
x
iJ
y
[J
, J
z
] = J
, [J
+
, J
] = 2J
z
, [J
2
, J
] = [J
2
, J
z
] = 0
J
2
J
2
x
+ J
2
y
+ J
2
z
= J
+ J
2
z
J
z
= J
+
J
+ J
J
+
+ J
2
z
(4.16)
4.2.2 Irreducible Representations
We are looking for the most general eigenvectors and eigenvalues of J
2
and J
Z
[1, 2]
J
2
[, m >= [, m >, J
z
[, m >= m[, m > (4.17)
where the eigenvalues are real because the operators are hermitian. The eigenstates are
normalized as < , m[
, m
>=
mm
. In the case of Orbital angular momenta the solution
is [, m >Y
l,m
and eqs. (4.11) is satised. In the general case the only thing we can assume
is the commutation relations of eq. (4.15). In order to get the representations we see that
=< , m[J
2
[, m >=< , m[J
2
x
+ J
2
y
+ J
2
z
[, m >< , m[J
2
z
[, m >= m
2
(4.18)
so m
2
and [m[ is bounded from above. Now it can be shown that
4.2. ANGULAR MOMENTA, GENERAL CASE 123
J
[, m >= f
m
[, m1 > (4.19)
where f
m
are unknown complex numbers. In order to do so rst it is easy to see that
J
2
(J
[, m >) = (J
[, m >) (4.20)
so the vector J
J
z
J
z
J
) [, m >= J
[, m > so
J
z
(J
[, m >) = (m1) (J
[, m >) (4.21)
That means the eigenvalue of J
z
when applied to the vector J
[, m > is m1 respectively.
Then eq. (4.19) is shown to be true. Given that m
2
we dene m
0
(n
0
) as the maximum
(minimum) value of m such that J
+
[, m
0
>= 0 and J
n
0
+1
[, m
0
>= 0, for a given . Notice
that n
0
is a positive integer. It can be shown that
= m
0
(m
0
+ 1) = (m
0
n
0
)(m
0
n
0
1) (4.22)
The rst equality follows from
0 = J
J
+
[, m
0
>=
_
J
2
J
2
z
J
z
_
[, m
0
>= ( m
2
0
m
0
)[, m
0
> (4.23)
and the second
0 = J
+
J
n
0
+1
[, m
0
>= J
+
J
_
J
n
0
[, m
0
>
_
=
_
J
2
J
2
z
+ J
z
_ _
J
n
0
[, m
0
>
_
=
_
(m
0
n
0
)
2
+ (m
0
n
0
)
_
J
n
0
[, m
0
>
_
(4.24)
The second equation of (4.22) has two solutions for n
0
: n
0
= 1 and n
0
= 2m
0
, but only
the second is physical because n
0
0 so
m
0
=
n
0
2
(4.25)
and from (4.22)
= m
0
(m
0
+ 1) J(J + 1) (4.26)
124 CHAPTER 4. ANGULAR MOMENTUM
dening J m
0
we have from eq. (4.25)
J = m
0
= n
0
/2 = 0, 1/2, 1, 3/2, 2, (4.27)
Now m m
0
= J from the relation 0 = J
n
0
+1
[, m
0
>= J
2m
0
+1
[, m
0
>= J
_
J
2m
0
[, m
0
>
_
[, m
0
>= 0, therefore m is bounded m
0
= J m J = m
0
and it goes from J
to J in steps of 1. Now one can redene the states as [, m > [Jm >, with J given by
(4.27).Finally to get the unknown coecients f
m
:
< Jm[J
[jm >= [f
m
[
2
< J, m1[J, m1 >= [f
m
[
2
= J(J + 1) m
2
m(4.28)
and the whole representation becomes
J
2
[Jm > = J(J + 1)[Jm >, J
z
[Jm >= m[Jm >
J
[Jm > =
_
J(J + 1) m(m1)[j, m1 > (4.29)
Each value of J correspond to an irreducible representation of the rotations group and for
a given J, m is an integer satisfying the condition m = J, J + 1, , J 1, J to have self
consistency. The states are normalized as < Jm[J
>=
JJ
mm
Spin 0, Scalars
J = 0 is the trivial representation J = m = 0 or J
i
= 0. It is clear that the commutation
relations are satised trivially. In this case the wavefunction has only one component (the usual
Schr odinger equation) and its transformation under rotations is given by eq. (4.14). Particles
with zero spin are the pions, kaons, f
0
(980), the Higgs, nuclei, atoms, etc [PDG].
Spin 1/2, spinors
J = 1/2 or the spinor representation. In this case m = 1/2 and if we identify
[1/2, 1/2 >=
_
1
0
_
, [1/2, 1/2 >=
_
0
1
_
(4.30)
and we can see that the operators are represented by J
i
=
i
/2 and the Pauli matrices are
x
=
_
0 1
1 0
_
,
y
=
_
0 i
i 0
_
,
z
=
_
1 0
0 1
_
(4.31)
and
4.2. ANGULAR MOMENTA, GENERAL CASE 125
J
+
=
_
0 1
0 0
_
, J
=
_
0 0
1 0
_
, J
z
=
1
2
_
1 0
0 1
_
J
2
=
3
4
_
1 0
0 1
_
(4.32)
Properties of the Pauli Matrices: [
i
,
j
] = 2i
ijk
k
,
i
,
j
= 2
ij
, (
A)(
B) =
A
B + i (
B), = 2i, they are traceless . In this case the wavefunction has two
components
=
_
1
2
_
(4.33)
the amplitude of probability of having spin up and spin down. This function can be seen
as a bivalued function. Its transformation law is (given that ()
2
=
2
)
(r) e
i/2
(r) = [cos(/2) + i n sin(/2)] (r)
_
d
1/2
_
mm
d
1/2
() e
i
2
/2
=
_
cos(/2) sin(/2)
sin(/2) cos(/2)
_
(4.34)
where is the magnitude of the rotation angle and n is a unitary vector in along the rotation
angle (see Rose 52 for Euler angles in this context). Notice that for the case of a 2 rotation
the wavefunction gain a minus sign (r) (r), later we will see that is possible to detect
this minus sign in neutron interferometry (see Sakurai 1623 in ref. [3]. The eigenvalues of the
Spin operator, for a general rotation around the axis dene by the unit vector n are
n
1,2
( n) =
_
n
z
n
n
+
n
z
_
1,2
( n) =
1,2
( n) (4.35)
with
1
(
n) = N
1
_
1 + n
z
n
+
_
=
_
cos(/2)
sin(/2) e
i
_
, and
2
(
n) = N
2
_
n
1 + n
z
_
=
_
sin(/2) e
i
cos(/2)
_
(4.36)
where n
= n
x
in
y
, [N
1
[
2
= [N
2
[
2
= 1/2(1 + n
z
) = 1/4 cos
2
(/2) and the eigenvectors are
orthonormalized:
j
=
ij
.
Electron spin was proposed by the rst time by Compton in 1921, imagining the electron
as small sphere spining around itself to produce its magnetic dipole moment. This model can
be easily shown to produce equatorial speeds, for the electron greater than c (see exercises).
Given that experimentally r
e
< 10
19
m. However it was discovered by Stern and Gerlach
in 1922 (obtaining the Nobel prize in 1943)[4]. Later on S. Goudsmit and U. Uhlenbeck [3]
(1925) introduce electron spin to explain ne structure lines (ne structure) and the anomalous
Zeeman eect, that were not explained by the Sommerfelds theory (see Eisberg in ref. [2]).
126 CHAPTER 4. ANGULAR MOMENTUM
It was incorporated to the SE in 1927 by Pauli, obtaining the Pauli equation. The electron
magnetic momenta was measured by the rst time by Phipps and Taylor in 1927 [4]. Examples
of particles with spin 1/2 are leptons (e
, positron, neutrinos,
2
_
_
0 1 0
0 0 1
0 0 0
_
_
, J
2
_
_
0 0 0
1 0 0
0 1 0
_
_
, J
z
=
_
_
1 0 0
0 0 0
0 0 1
_
_
J
x
=
1
2
(J
+
+ J
) =
1
2
_
_
0 1 0
1 0 1
0 1 0
_
_
, J
y
=
1
2 i
(J
+
J
) =
1
2
_
_
0 i 0
i 0 i
0 i 0
_
_
(4.38)
as before (Sakurai 195)
d
(1)
=
1
2
_
_
1 + cos
2 sin 1 cos
2 sin 2 cos
2 sin
1 cos
2 sin 1 + cos
_
_
(4.39)
Particles having spin one are the gauge bosons or mediators in the Standard Model: photon
(for EM), W
3 0 0
3 0 2 0
0 2 0
3
0 0
3 0
_
_
_
_
, J
y
=
i
2
_
_
_
_
0
3 0 0
3 0 2 0
0 2 0
3
0 0
3 0
_
_
_
_
(4.40)
J
z
= diag.(3/2, 1/2, 1/2, 3/2) and J
2
= (15/4). Examples of particles with spin 3/2 are
the decuplet of barions: (1232), (1385), (1530) and (1672), nuclei, atoms, etc.
4.3 Sum of Angular Momentun
1. The problem now is to add two o more angular momenta, what is the meaning of J =
J
1
+J
2
?.
2. For example in the simplest atom, the hydrogen one has to add the orbital angular
momenta with the spins of the electron and the proton.
3. We have seen how J
2
1
and J
1z
(J
2
2
and J
2z
) are diagonal if we use the base [j
1
m
1
) ([j
2
m
2
>).
The number of independent states in these bases is (2J
1
+1) (2J
2
+1), because they are
independent.
4. However J
2
= (J
1
+J
2
)
2
is not diagonal in this base, because [J
2
, J
1z
] ,= 0 (or equivalently
[J
2
, J
2z
] ,= 0).
5. We have then to nd a new base in which J
2
and J
z
= J
1z
+ J
2z
are diagonals.
6. Given that J
2
1
and J
2
2
commute between themselves and with J
2
and J
z
we can diagonalize
all the four operator. The new base is then characterized by their quantum numbers
[Jm; J
1
J
2
>, so
J
2
[Jm; J
1
J
2
>= J(J + 1)[Jm; J
1
J
2
>
J
z
[Jm; J
1
J
2
>= m[Jm; J
1
J
2
>
J
2
1
[Jm; J
1
J
2
>= J
1
(J
1
+ 1)[Jm; J
1
J
2
>
J
2
2
[Jm; J
1
J
2
>= J
2
(J
2
+ 1)[Jm; J
1
J
2
> (4.41)
It can be shown that J can take only the values
J = J
1
+ J
2
, J
1
+ J
2
1, , [J
1
J
2
[ (4.42)
and for each value of J, m = J, J + 1, , J, as it should be. To illustrate it we can
contract the table. By applying J
z
= J
1z
+ J
2z
to the eigenvalues of eq. (4.46) one get that
128 CHAPTER 4. ANGULAR MOMENTUM
m = m
1
+ m
2
. From that we see that m is between a minimum of m
min.
= J
1
J
2
and
a maximum of m
min.
= J
1
+ J
2
. For the maximum value of m we have only one state: that
one with m
1
= J
1
and m
2
= J
2
, so the only possibility for J is J = J
1
+ J
2
(its maximum
value). For the next case, m = J
1
+ J
2
1 there are two states: (m
1
= J
1
1, m
2
= J
2
) and
(m
1
= J
1
, m
2
= J
2
1), so now J can have two values: J = J
1
+ J
2
and J = J
1
+ J
2
1.
These analysis can be followed, with the consequent increasing of one state in each step. At
some point we will nd that m = J
1
J
2
(given that J
1
J
2
) when the number of states is
maximum, 2J
2
+ 1. Then the possible values of J are J
1
+ J
2
, J
1
+ J
2
1, , J
1
J
2
, that
means (J
1
+ J
2
) (J
1
J
2
) + 1 = 2J
2
+ 1. J then can not decrease anymore because we will
have more states (for a given m) in the base [Jm, J
1
J
2
> than in the base [J
1
m
1
> [J
2
m
2
>.
All this is better illustrate in the following table for a given example.
m Base (m
1
, m
2
) Base [J, m > Numb. of states
3/2 (1/2, 1) J = 3/2 1 state
1/2 (1/2, 0) (1/2, 1) J = 3/2, 1/2 2 states
1/2 (1/2, 1) (1/2, 1) J = 3/2, 1/2 2 states
3/2 (1/2, 1) J=3/2 1 states
6 states 6 states
(4.43)
Table 1: J = 1/2 +1 = 1/2, 3/2. The total number of states is 6 = (2 (1/2) +1) (2 1 +1)
m Base (m
1
, m
2
) Base [J, m > Numb. of states
4 (1, 3) J = 4 1 state
3 (1, 2) (0, 3) J = 4, 3 2 states
2 (1, 1) (0, 2) (1, 3) J = 4, 3, 2 3 states
1 (1, 0) (0, 1) (1, 2) J=4,3,2 3 states
0 (1, 1) (0, 0) (1, 1) J=4,3,2 3 states
1 (1, 2) (0, 1) (1, 0) J=4,3,2 3 states
2 (1, 3) (0, 2) (1, 1) J=4,3,2 3 states
3 (0, 3) (1, 2) J=4,3 2 states
4 (1, 3) J=4 1 states
21 states 21 states
(4.44)
Table 2: J = 1 +3 = 2, 3. The total number of states is 21 = (2 1 + 1) (2 3 + 1)
It can be shown that the number of states in the base [J, m > is (2J
1
+1)(2J
2
+1) too. For
each J there are 2(J
1
+ j
2
) + 1 states, and taken into account that J goes from J = [J
1
J
2
[
to J = J
1
+ J
2
in steps of 1, we have the total number of states is
4.3. SUM OF ANGULAR MOMENTUN 129
[2(J
1
+ J
2
) + 1] + [2(J
1
+ J
2
1) + 1] + + [2[J
1
J
2
[ + 1]
=
2J
2
k=0
[2(J
1
+ J
2
k) + 1] = [2(J
1
+ J
2
) + 1] (2J
2
+ 1) 2
2J
2
k=0
k
= [2(J
1
+ J
2
) + 1] (2J
2
+ 1) 2J
2
(2J
2
+ 1)
= (2J
2
+ 1) [2(J
1
+ J
2
) + 1 2J
2
] = (2J
2
+ 1)(2J
1
+ 1) (4.45)
4.3.1 ClebschGordan Coecients
Given that the new base has to have the same number of states, one can transform back and
forth between the two bases by using the relations
[Jm; J
1
J
2
>=
m
1
m
2
< J
1
m
1
; J
2
m
2
[Jm; J
1
J
2
> [J
1
m
1
> [J
2
m
2
>
[J
1
m
1
> [J
2
m
2
>=
Jm
< Jm; J
1
J
2
[J
1
m
1
; J
2
m
2
> [Jm; J
1
J
2
> (4.46)
where < J
1
m
1
; J
2
m
2
[Jm; J
1
J
2
> and < Jm; J
1
J
2
[J
1
m
1
; J
2
m
2
> are the ClebschGordan
coecients. A few of them are given in the table, but in general can be obtained by using for
example Mathematica. The notation is not unique, for example Landau in ref. [1]
< J
1
m
1
; J
2
m
2
[Jm; J
1
J
2
>=
_
J
1
J
2
J
m
1
m
2
m
_
(1)
J
1
J
2
+m
2J + 1 = C
Jm
J
1
m
1
;J
2
m
2
(4.47)
so eq. (4.46) can be written as
J
1
J
2
Jm
=
m
1
m
2
C
Jm
J
1
m
1
;J
2
m
2
J
1
m
1
J
2
m
2
J
1
m
1
J
2
m
2
=
Jm
C
Jm
J
1
m
1
;J
2
m
2
J
1
J
2
Jm
(4.48)
The calculation of the ClebschGordan coecients can be done by using the properties of
the operators and the eigenvectors (see Schi in ref. [1], and [1, 2].
ClebschGordan Coecients. Example: 1/2 +1/2
In this case J = 1, 0
130 CHAPTER 4. ANGULAR MOMENTUM
J = 1 : [11 >= C
11
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 >= [1/2, 1/2 > [1/2, 1/2 >
[10 >= C
10
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 > +C
10
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 >
=
1
2
([1/2, 1/2 > [1/2, 1/2 > +[1/2, 1/2 > [1/2, 1/2 >)
[1 1 >= C
11
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 >= [1/2, 1/2 > [1/2, 1/2 >
J = 0 : [10 >= C
00
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 > +C
00
1/21/2,1/21/2
[1/2, 1/2 > [1/2, 1/2 >
=
1
2
([1/2, 1/2 > [1/2, 1/2 > [1/2, 1/2 > [1/2, 1/2 >)
(4.49)
Several comments are in order.
1. The wavefunction is symmetric for the case of J = 1 and antisymmetric if J = 0.
2. For J = 1 we have three states (a triplet) while for J = 0 only one state is obtained
(singlet).
3. One important phenomena explained by this example is the Hyperne Structure, lets
see.
(a) For the hydrogen atom we have that this is the case, where we have to add the spins
of the electron and proton.
(b) It happens that the base state is splitted in two new states: one degenerate triplet,
with (J = 1) and one singlet with (J = 0), the new base state.
(c) The transition between these two levels is possible and is the famous 21 cms line
(the most abundant in the universe) [hyperne, PDG].
(d) Its best experimental value is = 1420.405 751 766 7(10) Mhz [hyperne, PDG],
one of the best known number in Physics.
(e) This line was predict by H. van Hulst and Oort as a possible tool to study the
center of our galaxy and was detected by the rst time by Ewen and Purcell in 1951
[hyperne].
(f) Hydrogen line observations soon produced the rst maps of our galaxys spiral arms,
until then hidden from human view by dust; they have been a major tool of radioas
tronomy ever since.
4. Another case is the hydrogen molecule, that constitutes the normal gas. This is a diatomic
molecule with two electrons with their corresponding spins (the nuclei spins are smaller),
that again have to be added to get one degenerate triplet (orthohydrogen) and one singlet
(parahydrogen).
4.3. SUM OF ANGULAR MOMENTUN 131
35. ClebschGordan coecients 1
35. CLEBSCHGORDANCOEFFICIENTS, SPHERICAL HARMONICS,
ANDd FUNCTIONS
Note: A squareroot sign is to be understood over every coecient, e.g., for 8/15 read
8/15.
Y
0
1
=
3
4
cos
Y
1
1
=
3
8
sin e
i
Y
0
2
=
5
4
3
2
cos
2
1
2
Y
1
2
=
15
8
sin cos e
i
Y
2
2
=
1
4
15
2
sin
2
e
2i
Y
m
= (1)
m
Y
m
j
1
j
2
m
1
m
2
j
1
j
2
JM
= (1)
Jj
1
j
2
j
2
j
1
m
2
m
1
j
2
j
1
JM d
m,0
=
4
2 + 1
Y
m
e
im
d
j
m
,m
= (1)
mm
d
j
m,m
= d
j
m,m
d
1
0,0
= cos d
1/2
1/2,1/2
= cos
2
d
1/2
1/2,1/2
= sin
2
d
1
1,1
=
1 + cos
2
d
1
1,0
=
sin
2
d
1
1,1
=
1 cos
2
d
3/2
3/2,3/2
=
1 + cos
2
cos
2
d
3/2
3/2,1/2
=
3
1 + cos
2
sin
2
d
3/2
3/2,1/2
=
3
1 cos
2
cos
2
d
3/2
3/2,3/2
=
1 cos
2
sin
2
d
3/2
1/2,1/2
=
3 cos 1
2
cos
2
d
3/2
1/2,1/2
=
3 cos + 1
2
sin
2
d
2
2,2
=
1 + cos
2
2
d
2
2,1
=
1 + cos
2
sin
d
2
2,0
=
6
4
sin
2
d
2
2,1
=
1 cos
2
sin
d
2
2,2
=
1 cos
2
2
d
2
1,1
=
1 + cos
2
(2 cos 1)
d
2
1,0
=
3
2
sin cos
d
2
1,1
=
1 cos
2
(2 cos + 1) d
2
0,0
=
3
2
cos
2
1
2
+1
5/2
5/2
+3/2
3/2
+3/2
1/5
4/5
4/5
1/5
5/2
5/2
1/2
3/5
2/5
1
2
3/2
1/2
2/5 5/2 3/2
3/2 3/2
4/5
1/5 4/5
1/5
1/2 2 1
5/2
5/2
3/5
1/2
+1/2
+11/2 2/5 3/5
2/5
1/2
2
+2
+3/2
+3/2
5/2
+5/2 5/2
5/2 3/2 1/2
1/2
1/3
1
+1
0
1/6
+1/2
+1/2
1/2
3/2
+1/2
2/5
1/15
8/15
+1/2
1/10
3/10
3/5 5/2 3/2 1/2
1/2
1/6
1/3 5/2
5/2
5/2
1
3/2
3/2
3/5
2/5
3/2
3/2
3/5
2/5
1/2
1
1
0
1/2
8/15
1/15
2/5
1/2
3/2
1/2
3/10
3/5
1/10
+3/2
+3/2
+1/2
1/2
+3/2
+1/2
+2 +1
+2
+1
0
+1
2/5
3/5
3/2
3/5
2/5
1
+1
0
+3/2 1 +1
+3
+1
1
0
3
1/3
+2
2/3
2
3/2
3/2
1/3
2/3
+1/2
0
1
1/2
+1/2
2/3
1/3
1/2
+1/2
1
+1 1
0
1/2
1/2
1/2
0
0
1/2
1/2
1
1
1 1/2
1
1
1/2
+1/2
+1/2 +1/2
+1/2
1/2
1/2
+1/2 1/2
1
3/2
2/3 3/2
3/2
1
1/3
1/2
1/2
1/2
1/3
2/3
+1 +1/2
+1
0
+3/2
2/3 3
3
3
3
3
1 1 2
3
2/3
1/3
2
2
1/3
2/3
2
0
1
2
1
0
+1
1
2/5
8/15
1/15
2
1
1
2
1
0
1/2
1/6
1/3
1
1
1/10
3/10
3/5
0
2
0
1
0
3/10
2/5
3/10
0
1/2
1/2
1/5
1/5
3/5
+1
+1
1
0 0
1
+1
1/15
8/15
2/5
2
+2 2
+1
1/2
1/2
1
1/2 2
0
1/6
1/6
2/3
1
1/2
1/2
0
0 2
2
2
1 1 1
1
1
1/2
1/2
1
1/2
1/2
0
0
0
1
1/3
1/3
1/3
1/2
+1
1
1
0
+1
0 0
+1 1
2
1
0
0 +1
+1 +1
+1
1/3
1/6
1/2
1
+1
3/5
3/10
1/10
1/3
1
0 +1
0
+2
+1
+2
3
+3/2
+1/2 +1
1/4 2
2
1
1
2
2
1
1
1/4
1/2
1/2
1/2
1/2 1/2
+1/2 3/2
3/2
1/2
1
0 0 3/4
+1/2
1/2 1/2
2
+1
3/4
3/4
3/4 1/4
1/2
+1/2
1/4
1
+1/2
1/2
+1/2
1
+1/2
3/5
0
1
+1/2 0
+1/2
3/2
+1/2
+5/2
+2 1/2
+1/2 +2
+1 +1/2
1
21/2
3/21/2
3/21
21
11/2
1/21/2
11
Not a t ion:
J J
M M
. . .
. . .
.
.
.
.
.
.
m
1
m
2
m
1
m
2 Coefficient s
1/5
2
2/7
2/7
3/7
3
1/2
1/2
1
2
2
1
0 4
1/2
1/2
3
3
1/2
1/2
2 1
4
4
2
1/5
27/70
+1/2
7/2
+7/2 7/2
+5/2
3/7
4/7
+2
+1
0
1
+2
+1
+4
1
4
4
+2
3/14
3/14
4/7
+2
1/2
1/2
0
+2
1
0
+1
+2
+2
+1
0
1
3 2
4
1/14
1/14
3/7
3/7
+1
3
1/5
1/5
3/10
3/10
+1
2
+2
+1
0
1
2
2
1
0
+1
+2
3/7
3/7
1/14
1/14
+1
1
4 3 2
2/7
2/7
2/7
1/14
1/14 4
1/14
1/14
3/7
3/7
3
3/10
3/10
1/5
1/5
1
2
2
1
0
0
1
2
1
0
+1
+1
0
1
2
1
2
4
3/14
3/14
4/7
2 2 2
3/7
3/7
1/14
1/14
1
1
1/5
3/10
3/10
1
1 0
0
1/70
1/70
8/35
18/35
8/35
0
1/10
1/10
2/5
2/5
0
0 0
0
2/5
2/5
1/10
1/10
0
1/5
1/5
1/5
1/5
1/5
1/5
3/10
3/10
+1
2/7
2/7
3/7
+3
1/2
+2
+1
0
1/2
+2 +2
+2
+1 +2
+1
+3
1/2
1/2
0
+1
+2
3
4
+1/2
+3/2
+3/2 +2 +5/2
4/7 7/2
+3/2
1/7
4/7
2/7
5/2
+3/2
+2
+1
1
0
16/35
18/35
1/35
1/35
12/35
18/35
4/35
3/2
+3/2
+3/2
3/2
1/2
+1/2
2/5
2/5 7/2
7/2
4/35
18/35
12/35
1/35
1/2
5/2
27/70
3/35
5/14
6/35
1/2
3/2
7/2
7/2
5/2
4/7
3/7
5/2
5/2
3/7
4/7
3/2 2
2/7
4/7
1/7
5/2
3/2
1
2
18/35
1/35
16/35
3/2
1/5
2/5
2/5
3/2
1/2
3/2
3/2
7/2
1
7/2
1/2
2/5
1/5
0
0
1
2
2/5
1/2
1/2
1/10
3/10
1/5
2/5
3/2
1/2
+1/2
5/2 3/2 1/2
+1/2
2/5
1/5
3/2
1/2
+1/2
+3/2
1/10
3/10
+1/2
2/5
2/5
+1
0
1
2
0
+3
3
3
+2
2
+2 1 +3/2
+3/2
+1/2
+1/2 1/2
1/2
1/2
+1/2
+3/2
1/2 3 2
3
0
1/20
1/20
9/20
9/20
2 1
3
1
1/5
1/5
3/5
2
3
3
1
3
2
1/2
1/2
3/2
2
1/2
1/2
3/2
2
1
1/2
1/2
1/2
3/2
0
1
1
3/10
3/10
2/5
3/2
1/2
0
0
1/4
1/4
1/4
1/4
0
9/20
9/20
+1/2
1/2
3/2
1/20
1/20
0
1/4
1/4
1/4
1/4
3/2
1/2
+1/2
1/2
1/2
0
1
3/10
3/10
3/2
1/2
+1/2
+3/2
+3/2
+1/2
1/2
3/2
2/5
+1 +1 +1
1/5
3/5
1/5
1/2
+3/2
+1/2
1/2
+3/2
+3/2
1/5
+1/2
6/35
5/14
3/35
1/5
3/7
1/2
+1/2
+3/2
5/2
23/2
22
3/23/2
3
Figure 35.1: The sign convention is that of Wigner (Group Theory, Academic Press, New York, 1959), also used by Condon and Shortley (The
Theory of Atomic Spectra, Cambridge Univ. Press, New York, 1953), Rose (Elementary Theory of Angular Momentum, Wiley, New York, 1957),
and Cohen (Tables of the ClebschGordan Coecients, North American Rockwell Science Center, Thousand Oaks, Calif., 1974). The coecients
here have been calculated using computer programs written independently by Cohen and at LBNL.
Figure 4.2: ClebshGordan coecients. Taken from PDG at wwww.lbl.gov
132 CHAPTER 4. ANGULAR MOMENTUM
ClebschGordan Coecients. Example: 1 +1/2
In this case J = 1/2, 3/2. But lets obtain the [J
1
, m
1
> [J
2
, m
2
> and change the notation:
1
1
1/2
1/2
=
3/2
3/2
1
1
1/2
1/2
=
_
1/3
3/2
1/2
+
_
2/3
1/2
1/2
1
0
1/2
1/2
=
_
2/3
3/2
1/2
_
1/3
1/2
1/2
1
0
1/2
1/2
=
_
2/3
3/2
1/2
+
_
1/3
1/2
1/2
1
1
1/2
1/2
=
_
1/3
3/2
1/2
_
2/3
1/2
1/2
,
1
1
1/2
1/2
=
3/2
3/2
(4.50)
4.3.2 WignerEckart Theorem
In general an operator transforms under an innitesimal rotation (with U() = exp[iJ ]) as
A U
ik
, T
(1)
ij
=
1
2
(T
ij
T
ji
) , T
(2)
ij
=
1
2
(T
ij
+ T
ji
) T
(0)
ij
(4.52)
For a tensor T
k
q
(Merzbacher 401).
< n
[T
k
q
[njm >=< jm[ < kq[j
; jk >< n
[T
k
[nj > (4.53)
Examples are: for an scalar eld
< jm[S[j
>=
1
j(j + 1)
< jm[J A[j
>< jm[J
q
[j
> (4.55)
4.4. APLICATIONS 133
4.4 Aplications
4.4.1 Raman Spectroscopy (Molecular Rotation)
1. The Hamiltonian for an arbitrary rotating body
H
rot.
=
1
2
_
L
2
x
I
x
+
L
2
y
I
y
+
L
2
z
I
z
_
(4.56)
where I
i
is the Inertia Momenta around the i
th
main axis.
2. For the case of the sphere one has that all the momenta of inertia are equal and H
sphere
=
L
2
/2I.
(a) Thus the Schr odinger equation can be easily solved to obtain
E
l
=
l(l + 1)
2I
, = Y
lm
(4.57)
(b) In this case each state has a degeneracy of 2l + 1 states.
3. For a semisymmetric body, with I
x
= I
y
,= I
z
one has that
H
rot.
=
1
2
_
L
2
x
+ L
2
y
I
x
+
L
2
z
I
z
_
=
1
2I
x
_
L
2
+ (I
x
/I
z
1) L
2
z
(4.58)
(a) and the solution is
E
lm
=
1
2I
x
_
l(l + 1) + (I
x
/I
z
1) m
2
, = Y
lm
(4.59)
4. The general case (I
1
,= I
2
,= I
3
) is more dicult (see Davidov in ref. [1]).
(a) It doesnt have any analytic solution and it has to be treated perturbatively
Eect E [eV] [hz] [cm
1
] T [
o
K] range
Electr. 1 10
14
1 m 12000 Optic/ultraviolet
Vibrat. 0.03 10
13
10
3
10
4
40 m 350 Infrared
Rotat. 10
3
10
11
1 10
2
1.2 mm 12 Infrared/microwave
Table 3: Molecular spectra. Main contributions.
134 CHAPTER 4. ANGULAR MOMENTUM
Figure 4.3: Raman spectroscopy
1. The rotovibrational molecular spectra (see Fig. 3) has several parts (a more rigorous
treatment is given in terms of the expansion in powers of
_
m
e
/M, given by the theory
of BornOppenheimer in 1928. See Bransden AM chap. 9, French and Taylor 487500,
Eisberg 461471, Townsend 254, Park 202):
2. The electronic contributions where E
e
1/m
e
a
2
1 eV, with a = 1/m
e
. In this case
the optic spectra is present in the visible or ultraviolet.
3. The vibrational part E
vibr.
= (n + 1/2). Given that the molecule is maintained in
equilibrium by coulombic forces one has that V (a) (1/2)
2
a
2
/a so
_
/a
3
and
vibr.
/
e
_
m
e
/m
N
1/40 so the absorption is in the infrared (800050.000
A).
The temperature needed to excite the vibrational modes is around 400
o
K.
4. Finally one has the rotational part: E
rot.
/E
e
=
rot.
/
e
(1/Ma
2
)/(1/m
e
a
2
) m
e
/M
10
4
. The absorption is in the far infrared and microwaves ( 1 mm1 cm).
5. Thus the complete spectra can be written symbolically as
E = E
e
+
_
n +
1
2
_
0
+
l(l + 1)
2I
(4.60)
6. An important historical note is brought by the book of Townsend p. 258:
(a) The discovery of the Big Bag background radiation A. McKellar (A. Mckellar,
Publs. Dominion Astro. Obs. (Victoria BC) 7 251 (1941)).
4.4. APLICATIONS 135
molec. E
d
[eV]
0
[eV] a [
A] 1/2I [eV]
H
+
2
2.65 0.285 1.06 3.6910
3
CO 9.6 0.269 1.13 2.3910
4
H
2
4.48 0.545 0.74 7.5410
3
LiH 2.5 0.174 1.6 9.3110
4
HD 0.47 0.74 5.6910
3
HCl
35
4.43 0.371 1.28 1.3110
3
D
2
0.39 0.74 3.7910
3
NaCl
35
4.22 0.045 2.36 2.3610
5
Li
2
0.044 2.67 8.3910
5
KCl
35
0.035 2.79 1.4310
5
N
2
9.75 0.293 1.09 2.4810
4
KBr
79
0.029 2.94 9.110
6
O
2
5.08 0.196 1.21 1.7810
4
HBr
79
0.329 1.41 1.0610
3
Cl
2
2.48 0.070 1.99 3.0310
5
NO 5.3 0.236 1.15 2.1110
4
Table 4.1: Rotovibrational parameters for several diatomic molecules. From Eisberg Table
12.1, p. 467 and Brasden Table 9.2 p. 393. The vibration frequency is
0
and the dissociation
energy is E
d
= E
e
0
/2.
(b) By observing light coming from the ophiuchi star, crosing the an interestelar cloud.
(c) He observed the absorption spectra of the molecule CN around the line = 3974
A.
(d) In particular he measured the transitions due to the rotation of the molecule to
obtain
rotat.
= 2.64 mm,
(e) that was interpreted as the transition in the rotational spectra from l = 1 to l = 0
(f) when the molecule is immersed in a radiation with T = 2.3
o
K!,
(g) no far from the value obtained by Penzias and Wilson in this historical discovery
T = 2.7
o
K.
1. In general Raman spectra is due to molecular rotation and vibration [5, atomic phys.].
2. Spectra of purely rotation transitions in very far infrared and short microwave: E
10
2
10
3
eV.
3. Raman eect change in the wavelength of light that occurs when a light beam is deected
by molecules. The phenomenon is named for Sir Chandrasekhara Venkata Raman, who
discovered it in 1928.
4. When a beam of light traverses a dustfree, transparent sample of a chemical compound, a
small fraction of the light emerges in directions other than that of the incident incoming)
beam.
5. Most of this scattered light is of unchanged wavelength. A small part, however, has
wavelengths dierent from that of the incident light; its presence is a result of the Raman
eect.
6. Raman scattering is perhaps most easily understandable if the incident light is considered
as consisting of particles, or photons (with energy proportional to frequency), that strike
the molecules of the sample.
136 CHAPTER 4. ANGULAR MOMENTUM
7. Most of the encounters are elastic, and the photons are scattered with unchanged energy
and frequency. On some occasions, however, the molecule takes up energy from or gives up
energy to the photons, which are thereby scattered with diminished or increased energy,
hence with lower or higher frequency.
8. The frequency shifts are thus measures of the amounts of energy involved in the transition
between initial and nal states of the scattering molecule.
9. The Raman eect is feeble; for a liquid compound the intensity of the aected light may
be only 1/100,000 of that incident beam.
10. The pattern of the Raman lines is characteristic of the particular molecular species, and
its intensity is proportional to the number of scattering molecules in the path of the light.
11. Thus, Raman spectra are used in qualitative and quantitative analysis.
12. The energies corresponding to the Raman frequency shifts are found to be the energies
associated with transitions between dierent rotational and vibrational states of the scat
tering molecule.
13. Pure rotational shifts are small and dicult to observe, except for those of simple gaseous
molecules.
14. In liquids, rotational motions are hindered, and discrete rotational Raman lines are not
found.
15. Most Raman work is concerned with vibrational transitions, which give larger shifts ob
servable for gases, liquids, and solids.
16. Gases have low molecular concentration at ordinary pressures and therefore produce very
faint Raman eects; thus liquids and solids are more frequently studied.
4.4.2 SternGerlach Experiment
1. SternGerlach experiment (SternGerlach 1922, Phipps and Taylor 1927 [4])).
2. For the case of Ag in the SternGerlach the spin and the orbital momenta of the rst 46
electrons vanish as the orbital momenta of the 47th one.
3. Thus the atomic angular momenta is the spin of the 47th electron, that is 1/2.
4. For the Phipps and Taylor experiment H(l = 0), so J
atom.
= s
e
= 1/2, too. Thus in both
experiments two lines were obtained.
See Fig. 4 Magnet in SternGerlach experiment A beam of silver atoms is passed between
the... Figure 2: The apparatus shown measures the x and y components of spin angular
momentum...
4.4. APLICATIONS 137
Figure 4.4: SternGerlach experiment
F = ( B)
F
z
= (
z
B) (4.61)
demonstration of the restricted spatial orientation of atomic and subatomic particles with
magnetic polarity, performed in the early 1920s by the German physicists Otto Stern and
Walther Gerlach.
5. In the experiment, a beam of neutral silver atoms was directed through a set of aligned
slits, then through a nonuniform (nonhomogeneous) magnetic eld (see Figure 4), and
onto a cold glass plate.
6. An electrically neutral silver atom is actually an atomic magnet: the spin of an unpaired
electron causes the atom to have a north and south pole like a tiny compass needle.
7. In a uniform magnetic eld, the atomic magnet, or magnetic dipole, only precesses as the
atom moves in the external magnetic eld.
8. In a nonuniform magnetic eld, the forces on the two poles are not equal, and the silver
atom itself is deected by a slight resultant force, the magnitude and direction of which
vary in relation to the orientation of the dipole in the nonuniform eld (see Figure 2).
9. A beam of neutral silver atoms directed through the apparatus in the absence of the
nonuniform magnetic eld produces a thin line, in the shape of the slit, on the plate.
138 CHAPTER 4. ANGULAR MOMENTUM
10. When the nonuniform magnetic eld is applied, the thin line splits lengthwise into two
distinct traces, corresponding to just two opposite orientations in space of the silver atoms.
11. If the silver atoms were oriented randomly in space, the trace on the plate would have
broadened into a wide area, corresponding to numerous dierent deections of the silver
atoms.
12. This restricted orientation, called space quantization, is manifested by other atoms and
subatomic particles that have nonzero spin (angular momentum), with its associated
magnetic polarity, whenever they are subjected to an appropriate nonuniform magnetic
eld. Landes Factor.
4.4.3 Pauli Equation
The Schrodinger Equation obviously do not include spin. Around 1930 P. Dirac was able to nd
an equation including in a consistent way the spin, Quantum Mechanics and Special Relativity
for the electron. This is the so called Dirac Equation the main equation in Relativistic Quantum
Mechanics [?]. It is incomplete because the elds (EM) are classical. The full theory, QED
[?] takes into account the quantum character of the elds and it is theoretically consistent
with QM, Special Relativity, EM, spin, etc. In the case of a nonrelativistic electron a simpler
equation can be used, is the Paulis Equation [?]. In order to obtain it lets begin by including
EM (classical). This is done by the so called minimal substitution (p p qA, with q the
electric charge and A the potential vector), or by gauged the SE like in a Gauge Theory [?],
given that for the electron q = e
H =
(p + eA)
2
2m
+ V (r) =
1
2m
_
p
2
+ ep A+ eA p + e
2
A
2
_
+ V (r)
=
1
2m
_
p
2
+ 2eA p + e
2
A
2
_
+ V (r) H
0
+
e
m
A p (4.62)
Where the Coulomb or radiation gauge A = 0 was chosen (remembering that one
can do this because the potential vector is unphysical, B = A. In the last equation
H
0
= p
2
/2m + V (r) is the usual Hamiltonian and it was assumed that the potential vector
is small as well as it is multiplied by the electric charge. In general the last term describes
correctly many atomic radiation phenomena (see Radiation Chapter), but in this case we are
going to consider only that atoms are aected by an external magnetic eld, constant. The
corresponding potential, in the Coulomb gage is A = Br/2 and
H = H
0
+
e
2m
(Br) p = H
0
+
e
2m
B (r p) = H
0
+
e
2m
B L = H
0
L
B(4.63)
with L = r p the orbital angular momenta. The last term correspond to the energy
of a magnetic momenta
L
= (e/2m)L
B
L in presence of a constant magnetic eld,
H = B. Notice that this is the classical (and quantum) magnetic momenta of an spinning
electron.
4.4. APLICATIONS 139
It happens, however that the intrinsics magnetic momenta (
e
= g
e
B
S
e
2
B
S
e
=
e/2m) of the electron is aected by the same magnetic eld and its contribution is of the
same order, so it has to be included:
H = H
0
+
e
2m
B L
e
B = H
0
+
B
L B+ g
e
B
S B H
0
+
B
(L + 2S) B(4.64)
Having the Hamiltonian one can written the usual SE. Now, in this case the hamiltonian
and therefore the wavefuntion have two components.
The intrinsic magnetic momenta of the electron is given as
e
= g
e
B
S
e
2
B
S
e
=
e/2m (Bransden AM 209), with
B
= e/2m
e
= 5.8 10
5
eV/Tesla. Experimentally
g/2 = 1.001 159 652 188 4(43) (so we used g = 2)) [?, ?]. Dirac eq. predicts g = 2 and QED
g
e
= 2(1 + a) with a = /2 0.328(/)
2
+ [?, ?], the anomalous magnetic momenta of
the electron [?, ?]. Similar expresions are valid for atoms, and the other leptons with their
correspondig g.
Similarly one has for the nuclei that
N
= g
N
N
S
N
, with the nuclear magneton
N
=
e/2m
p
= 3.15 10
8
eV/Tesla, g
p
2 2.79278 and g
n
= 2 (1.91315). As theoretically one
expects g = 2 for a fundamental or structureless particle a measurement of g ,= 2 it is a clear
indication of a composed particle, like proton (Stern 30s!), neutron, etc.
elementm, (Z, A) J
P
/
N
Q
n, (0, 1) 1/2
+
1.91304273(45) 616.3 s
p, (1, 1) 1/2
+
2.792847351(28) stable
D, (1, 2) 1
+
0.8574382329(92) stable
T, (1, 3) 1/2
+
2.9789622487 0.00286015 12.33y
He, (2, 3) 1/2
+
2.127624857 stable
He, (2, 4) 0 0
Li, (3, 6) 1
+
0.82204736 stable
Li, (3, 7) 3/2
m
J
a
m
J
e
iEm
J
t
[Jm
J
> (4.68)
with a
m
J
arbitrary coecients, that may be determinated by the initial conguration. Lets
see the expectation values
E =< [H[ >=
m
J
[a
m
J
[
2
E
m
J
< J
z
>=
m
J
[a
m
J
[
2
m
J
< J
>=
m
J
a
m
J
1
a
m
J
e
it
_
J(J + 1) m
J
(m
J
1) ae
it
(4.69)
where = g
B,N
B, and we have used J
[Jm
J
>=
_
J(J + 1) m(m1). Now one can
write < J
m
J
a
m
J
_
J(J + 1) m
J
(m
J
1),
so
< J
x
>= [a[ cos(t ) = [J[ sin() cos(t )
< J
y
>= [a[ sin(t ) = [J[ sin() sin(t )
< J
z
>=
m
J
[a
m
J
[
2
m
J
= [J[ cos() (4.70)
given that [J[ cos()
m
J
[a
m
J
[
2
m
J
and [J[ sin() [a[ That corresponds to the preces
sion of the magnetic momenta around B, with angular frequency (g = 1 means =
Larmor
=
eB/2m and we have the classical case). See Fig. 5. This is the basic principle of NMR: if you
measure , the precession frequency the you can get g for each particle and given that each
molecule has a particular value we can recognize what substance you have. The cyclotron
4.4. APLICATIONS 141
frequency is
C
= eB/m. Cyclotron frequency is the angular rotation frequency for a particle
in presence of a Constant Magnetic Field
L
= eB/m (LorrainCorson p. 287). The Larmor
frequency is the precession frequency of a magnetic dipole in presence of a Constant Magnetic
Momenta = B so
L = B = g
B,N
L B = L , where =
L
= eB/2m (Landau
II, p. 140 and Feynman 347) (see Merzbacher pag. 281 and Schi 384. See Ehrenfest theorem:
statistical mechanics, Spin precession in sakurai p. 161).
4.4.5 Paramagnetic Resonance
In this case the dipole is immersed in two elds: the usual static one and another due to the
electromagnetic wave used to excite it (Gasiorowicz 237, Landau 502, Merzbacher 283). See
Fig. 6
H = B = g
B/N
B J =
1
2
g
B/N
B =
1
2
_
0
1
cos(t)
1
cos(t)
0
_
(4.71)
with
0
= g
B
B
0
and
1
= g
B
B
1
. The Pauli/Scrodinger equation becomes
i
_
1
2
_
=
1
2
_
0
1
cos(t)
1
cos(t)
0
__
1
2
_
(4.72)
and taking
1
= a exp[i
0
t/2] and
2
= b exp[i
0
t/2] one gets
2i a =
1
cos(t)e
i
0
t
b, 2i
b =
1
cos(t)e
i
0
t
a (4.73)
If =
0
<<
0
one has that (a more complete solution, from the mathematical point
of view can be founded in ref. [6])
cos(t)e
i
0
t
=
1
2
_
e
i(
0
)t
+ e
i(
0
)t
_
1
2
e
it
(4.74)
and
4i a =
1
e
it
b, 4i
b =
1
e
it
a (4.75)
if b is eliminated one obtains
a + i a +
_
1
4
_
2
a = 0 (4.76)
that can be solved by using the trial function a = a
0
exp(it) and
142 CHAPTER 4. ANGULAR MOMENTUM
=
=
1
2
_
_
2
+
2
1
/4
_
(4.77)
taking a(0) = 1 and b(0) = 0 (so a(0) = 0), then
a =
1
e
i
+
t
+
+
e
i
, b =
4
1
(
+
)
_
e
i
+
t
e
i
e
it
1
=
+
_
1
+
e
i(
+
)t
_
e
i
0
/2)t
2
=
2
1
(
+
)
_
e
i(
+
)t
1
e
i
+
0
/2+)t
(4.78)
so the probabilities are
P
1
=
2
_
1 +
_
+
_
2
2
+
cos(
+
)t
_
1
2
[1 + cos(
1
t/2)]
P
2
= 2
2
[1 cos(
+
)t]
1
2
[1 cos(
1
t/2)] (4.79)
in the case of resonance when 0. See Fig. 7.
4.4. APLICATIONS 143
4.4.6 NRM
1. Nuclear magnetic resonance abbreviated as NMR [6] selective absorption of very high
frequency radio waves by certain atomic nuclei that are subjected to an appropriately
strong stationary magnetic eld.
2. This phenomenon was rst observed in 1946 by the physicists Felix Bloch and Edward
M. Purcell independently of each other.
3. Nuclei in which at least one proton or one neutron is unpaired act like tiny magnets, and
a strong magnetic eld (B 0.2 2 T) exerts a force that causes them to precess in
somewhat the same way that the axes of spinning tops trace out coneshaped surfaces
while they precess in the Earths gravitational eld.
4. The nuclear spin, s
N
vanish if the number of protons n
p
and the number of neutrons n
n
are both even. If n
p
+n
n
is odd s
n
= 1/2, 3/2, . If n
p
+n
n
is even s
n
= 1, 2, (?).
5. When the natural frequency of the precessing nuclear magnets corresponds to the fre
quency of a weak external radio wave striking the material, energy is absorbed from the
radio wave.
6. This selective absorption, called resonance, may be produced either by tuning the natural
frequency of the nuclear magnets to that of a weak radio wave of xed frequency or by
tuning the frequency of the weak radio wave to that of the nuclear magnets (determined
by the strong constant external magnetic eld).
7. Nuclear magnetic resonance is used to measure nuclear magnetic moments, the charac
teristic magnetic behavior of specic nuclei.
8. Because these values are signicantly modied by the immediate chemical environment,
however, NMR measurements provide information about the molecular structure of vari
ous solids and liquids.
9. Several nobel prized have been awarded by developments in this eld.
(a) I. Rabi got his nobel prize in 1944 for his resonance method for recording the
magnetic properties of atomic nuclei
(b) N. Ramsey got the nobel prize in 1989 for been the rst to measure a nuclear
magnetic dipole moment.
(c) F. Bloch and E. Purcell in 1952 for their development of new methods for nuclear
magnetic precision measurements and discoveries in connection therewith.
(d) They were the rst to measures magnetic dipole moments of nuclei in bulk matter.
(e) R. Erns got its nobel prize in chemistry in 1991 for its work in NRM spectroscopy.
(f) Finally P. Lauterbur and P. Manseld got the 2003 Nobel Medicine Prize for mag
netic resonance imaging method (MRI) [6].
144 CHAPTER 4. ANGULAR MOMENTUM
Resr
umass
Figure 4.5: NRM
4.4. APLICATIONS 145
10. By the early 1980s nuclear magnetic resonance techniques had begun to be used in
medicine to visualize soft tissues of the body.
11. This application of NMR, called magnetic resonance imaging (MRI), presented a hazard
free, noninvasive way to generate visual images of thin slices of the body by measuring
the nuclear magnetic moments of ordinary hydrogen nuclei in the bodys water and lipids
(fats).
12. NMR images show great sensitivity in dierentiating between normal tissues and diseased
or damaged ones.
13. By the late 1980s MRI had proved superior to most other imaging techniques in providing
images of the brain, heart, liver, kidneys, spleen, pancreas, breast, and other organs.
14. MRI provides relatively highcontrast, variabletoned images that can show tumors, blood
starved tissues, and neural plaques resulting from multiple sclerosis.
15. The technique presents no known health hazards, but it cannot be used on individuals
who have cardiac pacemakers or certain other metalcontaining devices implanted in their
bodies.
4.4.7 ElectronSpin Resonance
1. Electron paramagnetic resonance (epr), also called ELECTRONSPIN RESONANCE
(esr), selective absorption of weak radiofrequency electromagnetic radiation (in the mi
crowave region) by unpaired electrons in the atomic structure of certain materials that
simultaneously are subjected to a constant, strong magnetic eld.
2. The unpaired electrons, because of their spin, behave like tiny magnets.
3. When materials containing such electrons are subjected to a strong stationary magnetic
eld, the magnetic axes of the unpaired electrons, or elementary magnets, partially align
themselves with the strong external eld, and they precess in the eld much as the axes
of spinning tops often trace coneshaped surfaces as they precess in the gravitational eld
of the Earth.
4. Resonance is the absorption of energy from the weak alternating magnetic eld of the
microwave when its frequency corresponds to the natural frequency of precession of the
elementary magnets.
5. When either the microwave frequency or the stationary eld strength is varied and the
other is kept xed, the measurement of radiation absorbed as a function of the changing
variable gives an electron paramagnetic resonance spectrum. Such a spectrum, typically a
graph of microwave energy absorption versus applied stationary magnetic eld, is used to
identify paramagnetic substances and to investigate the nature of chemical bonds within
molecules by identifying unpaired electrons and their interaction with the immediate
surroundings.
146 CHAPTER 4. ANGULAR MOMENTUM
6. In contrast to nuclear magnetic resonance, electronspin resonance (ESR) is observed only
in a restricted class of substances.
7. These substances include transition elementsthat is, elements with unlled inner elec
tronic shellsfree radicals (molecular fragments), metals, and various paramagnetic defects
and impurity centers.
8. Another dierence from NMR is a far greater sensitivity to environment; whereas the
resonance frequencies in NMR in general are shifted from those of bare nuclei by very
small amounts because of the inuence of conduction electrons, chemical shifts, spinspin
couplings, and so on, the ESR frequencies in bulk matter may dier greatly from those
of free spins or free atoms because the unlled subshells of the atom are easily distorted
by the interactions occurring in bulk matter.
9. A model that has been highly successful for the description of magnetism in bulk matter
is based on the eect of the crystal lattice on the magnetic center under study. The
eect of the crystal eld, particularly if it has little symmetry, is to reduce the magnetism
caused by orbital motion. To some extent the orbital magnetism is preserved against
ligand elds of low symmetry by the coupling of the spin and orbital momenta.
10. The total energy of the magnetic center consists of two parts: (1) the energy of coupling
between magnetic moments due to the electrons and the external magnetic eld, and
(2) the electrostatic energy between the electronic shells and the ligand eld, which is
independent of the applied magnetic eld.
11. The energy levels give rise to a spectrum with many dierent resonance frequencies,
the ne structure. Another important feature of electronspin resonance results from
the interaction of the electronic magnetization with the nuclear moment, causing each
component of the nestructure resonance spectrum to be split further into many so
called hyperne components.
12. If the electronic magnetization is spread over more than one atom, it can interact with
more than one nucleus; and, in the expression for hyperne levels, the hyperne coupling
of the electrons with a single nucleus must be replaced by the sum of the coupling with
all the nuclei.
13. Each hyperne line is then split further by the additional couplings into what is known as
superhyperne structure. The key problem in electronspin resonance is, on one hand, to
construct a mathematical description of the total energy of the interaction in the ligand
eld plus the applied magnetic eld and, on the other hand, to deduce the parameters of
the theoretical expression from an analysis of the observed spectra.
14. The comparison of the two sets of values permits a detailed quantitative test of the
microscopic description of the structure of matter in the compounds studied by ESR.
4.4. APLICATIONS 147
15. The transition elements include the iron group, the lanthanide (or rareearth) group, the
palladium group, the platinum group, and the actinide group.
16. The resonance behavior of compounds of these elements is conditioned by the relative
strength of the ligand eld and the spinorbit coupling.
17. In the lanthanides, for instance, the ligand eld is weak and unable to uncouple the spin
and orbital momentum, leaving the latter largely unreduced.
18. On the other hand, in the iron group, the components of the ligand eld are, as a rule,
stronger than the spinorbit coupling, and the orbital momentum is strongly reduced.
19. The advent of ESR has marked a new understanding of these substances. Thus, it was
formerly thought that in the iron group and the lanthanide group ions of the crystal
were bound together solely by their electrostatic attraction, the magnetic electrons being
completely localized on the transition ion.
20. The discovery of superhyperne structure demonstrated conclusively that some covalent
bonding to neighboring ions exists. With few exceptions, the magnetic moments of im
perfections such as vacancies at lattice sites and impurity centers in crystals that give rise
to an observable ESR have the characteristics of a free electronic spin. In the study of
these centers, hyperne and superhyperne structure provide a mapping of the electronic
magnetization and make it possible to test the correctness of the model chosen to describe
the defect.
21. The most widely studied by resonance are those of phosphorus, arsenic, and antimony,
substituted in the semiconductors silicon and germanium.
22. Studies of hyperne and superhyperne structure give detailed information on the status
of these impurities. Free radicals are ideally suited for study by electronspin resonance.
They can be studied in a concentrated form or in very dilute solutions. The sensitivity
of ESR is particularly important for the study of very shortlived species.
23. The ESR of free radicals in solutions gives an extreme wealth of hyperne lines because
the magnetic electron is not localized on one nucleus but interacts with several nuclei of
the radical.
4.4.8 LS and JJ Schemes
LS : S. O. << H RussellSaunders. Base [lm
l
> [S, m
s
> JJ : S. O. >> H. Base [Jm; ls >
148 CHAPTER 4. ANGULAR MOMENTUM
4.5 Angular Momenta Exercises
4.5.1 Orbital Angular Momenta Exercises
1. Show
d
dt
< p > = < V >=< F >
d
dt
< L > = < r (V ) >=< > (4.80)
A: Given that H = p
2
/2m+V (x), [p
i
, V ] = i (
i
V ) = iF
i
and [L
i
, p
2
] = 0 one obtains
i
d
dt
< p > = < [p, H] > +i <
t
p >=< [p, V ] >= i < F >
i
d
dt
< L
i
> = < [L
i
, H] > +i <
t
L
i
>=
1
2m
< [L
i
, p
2
] > + < [L
i
, V ] >=
ijk
< [x
j
p
k
, V ] >
=
ijk
< x
j
[p
k
, V ] >= i
ijk
< x
j
(F
k
) >= i <
i
> (4.81)
2. Show that [L
i
, x
j
] = i
ijk
x
k
, [L
i
, p
j
] = i
ijk
p
k
and [L
i
, L
j
] = i
ijk
L
k
.
3. Show that [L
i
, x
2
] = [L
i
, p
2
] = [L
2
, x
i
] = [L
2
, p
i
] = [L
i
, x p] = [L
2
, x p] = 0.
4. Obtain p
x
, p
y
and p
z
in spherical coordinates. From that compute L
i
.
A: p
x
= (r/x)p
r
+ (/x)p
+ (/x)p
, L
z
] = L
and [L
+
, L
] = 2L
z
.
7. Obtain the eigenvalues of L
2
is more complicated: one has to solve the equation
L
2
=
_
1
sin
2
2
+
1
sin
sin
_
= (4.82)
Using the method of separation of variables: = ()() = () exp[im]. In order
to obtain the same wavefunction after a rotation like + 2 one obtains that
m = 0, 1, 2, . The other equation is, then
(1
2
)
m
2
1
2
+ = 0 (4.83)
4.5. ANGULAR MOMENTA EXERCISES 149
with = cos . In order to have nite solutions at = 1 lets try the solution =
(1
2
)
m/2
h(), with t = (1 )/2, 1 t = (1 + )/2 and
= (1
2
)
m/2
h
m(1
2
)
m/21
h
= (1
2
)
m/2
h
2m(1
2
)
m/21
h
m(1
2
)
m/22
_
1 (m1)
2
h
(1
2
)h
2(m + 1)h
+ [ m(m + 1)] h = 0
t(1 t)
h + (m + 1)(1 2t)
1
ab
2
F
1
= 0), a + b + 1 =
2(m + 1), ab = m(m + 1) , c = m + 1. The solutions are a = [2m + 1
4 + 1]/2,
b = [2m + 1
lm
.
9. Show explicitly that L
Y
lm
=
_
(l m)(l m + 1) Y
l,m1
, L
z
Y
lm
= mY
lm
and L
2
Y
lm
=
l(l + 1)Y
lm
.
A: L
Y
lm
= e
i
_
+ i cot
_
Y
lm
=
_
2l+1
4
(lm)!
(l+m)!
_
1/2
(1)
m
e
i
_
+ i cot
_
e
im
P
m
l
(cos )
N
lm
e
i
_
P
m
l
+ i cot P
m
l
im
e
im
= N
lm
e
i(m1)
_
sin P
m
l
m
cos
sin
P
m
l
= N
lm
e
i(m1)
_
1 x
2
P
m
l
mx
1x
2
P
m
l
_
= N
lm
e
i(m1)
(1/2)
_
P
m+1
l
(l + m)(l m + 1)P
m1
l
P
m+1
l
+ (l + m)(l m + 1)P
m1
l
=
_
(l m)(l m + 1) Y
l,m1
10. For the case of angular momenta l = 1 (l = 2)nd out the matrices L
x
, L
y
, L
, L
z
y L
2
.
Show explicitely how they satisfy the corresponding commutation relations.
A: Given L
Y
lm
=
_
(l m)(l m + 1) Y
l,m1
(L
)
lm,l
=
_
(l m
)(l m
+ 1)
ll
m,m
1
.
L
= L
+
150 CHAPTER 4. ANGULAR MOMENTUM
for l = 1 L
+
=
2
_
_
0 1 0
0 0 1
0 0 0
_
_
, for l = 2 L
+
=
_
_
_
_
_
_
0 2 0 0 0
0 0
6 0 0
0 0 0
6 0
0 0 0 0 2
0 0 0 0 0
_
_
_
_
_
_
(4.87)
11. Find out L
x
for the state [lm >.
12. Given that J
1
= 1 and J
2
= 1/2, obtain J
1z
1x
for the state [J = 1/2, m = 1/2; J
1
=
1, J
2
= 1/2 >.
13. Find and L
z
, for an state of angular momenta l and zcomponent m. Comment what
happens with the Heisenbergs indetermination principle [1]. See PhysicsWeb, Angular
uncertainty passes test, oct.04; S. FrankeArnold, et al., New J. of Phys. 6, 103 (2004);
S. Barnett and D. Pegg, Phys. Rev. A 41, 3427 (1990).
14. Show that [H, L
i
] = [H, L
2
] = 0 for any central potential, like the hydrogen case.
15. Show that the Schr odinder for a central potential can be written as u
= 2(E+V
e.
(r))u
(for the radial part), where the Eective potential is V
e.
(r) = V (r) + l(l + 1)/2r
2
and
u = R/r.
16. An homogenous sphere of m = 100 grs. and r = 1 cm spins around its axis with a
frequency of 1000 hz. Compute the value of l?
A: E
l
= l(l + 1)
2
/2I = (1/2)I
2
= (1/2)I(2)
2
l 2I/ = 4mr
2
/5 =
4 0.1 (10
2
)
2
10
3
/5 10
34
2.5 10
32
17. Compute l for the earth?.
A:E
l
= l(l + 1)
2
/2I = (1/2)I
2
= (1/2)I(2/T)
2
l 2I/T = 4mr
2
/5 =
4 5.98 10
24
(6.4 10
6
)
2
10
3
kg m
2
/5 10
34
24 3600J s = 7.1 10
67
. E E
l+1
E
l
=
l
2
/I 5 10
39
J 5 10
26
eV!.
18. What is the degeneracy of an sphere with l = 3?
A: E
lm
= l(l + 1)
2
/2I. So there are 2l + 1 = 7 states with the same energy: m =
3, 2, 1, 0, 1, 2, 3.
19. For an ellipsoid of revolution with l = 3 y [m[ = 2 nd the degeneration.
A: E
lm
= [l(l + 1) + (I
x
/I
z
1)m
2
/2I
x
. There are only two states with l = 3 y [m[ = 2:
[3, 2 >, given that the energy depends only on m
2
.
4.5. ANGULAR MOMENTA EXERCISES 151
4.5.2 Angular Momenta, general
20. Show eq. (4.16) in the general case.
21. Is it possible to nd a particle with J = 0.3?, J = 2/3?, J
z
= 0.7?
22. What are the irreducible representations of SU(2) (the angular group)?
23. What is the dierence between spin and orbital angular momenta?
24. Suppose the electron spin were due to its rotation around its own axis. If it has been
shown, experimentally that the electron radius r
e
< 10
19
mts, what is the minima speed
of its surface to produce the correct value for the spin?. Do the same for thr proton,
assuming r
p
= 1 fm. Notice that for the meutrino is even worst as its masss is very small.
A: I = (2mr
2
/5)(v/r) = /2 so v/c = 5c/4mr. For the electron v/c = 5 197.3 MeV
f/4 0.5 10
4
MeV f = 5 10
6
!. For the proton v/c = 5 197.3 MeV f/4 938 MeV f = 0.26
25. Show explicitly the Pauli matrices properties: a) [
i
,
j
] = 2i
ijk
k
, b)
i
,
j
= 2
ij
, c)
( A)( B) = A B+ i (AB), d) expi
/2 = cos(/2) + i
n sin(/2) and e)
obtain d
1/2
(Rose 52). The Paulis matrices are
x
=
_
0 1
1 0
_
,
y
=
_
0 i
i 0
_
,
z
=
_
1 0
0 1
_
26. See neutron interferometry and the  sign in Sakurai p. 1623
27. Obtain explicitly the eigenvalues and eigenvectors of the spin operator: s = (1/2) n,
given in the eq. (4.36)).
28. Obtain for J = 1 the rotation matrix exp[i J].
A:
J
2
x
=
1
2
_
_
1 0 1
0 2 0
1 0 1
_
_
, J
2
y
=
1
2
_
_
1 0 1
0 2 0
1 0 1
_
_
, J
2
z
=
_
_
1 0 0
0 0 0
0 0 1
_
_
and J
3
i
= J
i
29. For J = 1 get for the spin operator, s = J n, where n is an arbitrary unitary vector the
eigenvalues and eigenvectors.
30. Work out the J = 3/2 and J = 2 cases. Check the obtained matrices satisfy all the
commutation relations.
152 CHAPTER 4. ANGULAR MOMENTUM
31. Write out the matrices J
z
and J
2
, in the case of J = 5/2.
32. Work out the d matrices giving the wavefunction transformation exp i J, in the gen
eral case. See Rose 52.
4.5.3 Sum of Angular Momenta
33. Show that: a) J =
1
2
and b) J = L +
1
2
satisfy the Angular Momenta commutation
relations: [J
i
, J
j
] = i
ijk
J
k
. Show that the operators J
z
, J
2
, L
2
and
2
commute between
themselves.
34. Show, in general that the operators J
z
, J
2
, J
2
1
and J
2
commute between themselves, where
J = J
1
+J
2
.
35. Show that J
1
J
2
, J
1
J and J
2
J are diagonal in the base [Jm; J
1
J
2
>. Obtain [J
1z
, J
2
]
36. What is the value of J = 1 + 3/2 + 4?
37. Show, explicitly that J = 2 + 3/2 = 7/2, 5/2, 3/2, 1/2
m Base (m
1
, m
2
) Base [J, m > Numb. of states
5/2 (2, 1/2) J = 5/2 1 state
3/2 (1, 1/2) (2, 1/2) J = 5/2, 3/2 2 states
1/2 (0, 1/2) (1, 1/2) J = 5/2, 3/2 2 states
1/2 (1, 1/2) (0, 1/2) J = 5/2, 3/2 2 states
3/2 (2, 1/2) (1, 1/2) J = 5/2, 3/2 2 states
5/2 (2, 1/2) J = 5/2 1 state
10 states 10 states
(4.88)
Table 6: J = 2 + 1/2. The total number of states is 10 = (2 2 + 1) (2 (1/2) + 1) =
(2 (5/2) + 1) + (2 (3/2) + 1).
4.5. ANGULAR MOMENTA EXERCISES 153
m (m
1
, m
2
) Base [J, m > Base Numb. of states
7 (5, 2) J = 7 1 state
6 (4, 2), (5, 1) J = 7, 6 2 states
5 (3, 2), (4, 1), (5, 0) J = 7, 6, 5 3 states
4 (2, 2), (3, 1), (4, 0), (5, 1) J = 7, 6, 5, 4 4 states
3 (1, 2), (2, 1), (3, 0), (4, 1), (5, 2) J = 7, 6, 5, 4, 3 5 states
2 (0, 2), (1, 1), (2, 0), (3, 1), (4, 2) J = 7, 6, 5, 4, 3 5 states
1 (1, 2), (0, 1), (1, 0), (2, 1), (3, 2) J = 7, 6, 5, 4, 3 5 states
0 (2, 2), (1, 1), (0, 0), (1, 1), (2, 2) J = 7, 6, 5, 4, 3 5 states
1 (3, 2), (2, 1), (1, 0), (0, 1), (1, 2) J = 7, 6, 5, 4, 3 5 states
2 (4, 2), (3, 1), (2, 0), (1, 1), (0, 2) J = 7, 6, 5, 4, 3 5 states
3 (5, 2), (4, 1), (3, 0), (2, 1), (1, 2) J = 7, 6, 5, 4, 3 5 states
4 (5, 1), (4, 0), (3, 1), (2, 2) J = 7, 6, 5, 4 4 states
5 (5, 0), (4, 1), (3, 2) J = 7, 6, 5 3 states
6 (5, 1), (4, 2) J = 7, 6 2 states
7 (5, 2) J = 7 1 states
55 states 55 states
(4.89)
Table 7: J = 5 + 2. The total number of states is 55 = (2 5 + 1) (2 2 + 1) =
(2 7 + 1) + (2 6 + 1) + (2 5 + 1) + (2 4 + 1) + +(2 3 + 1) = 15 + 13 + 11 + 9 + 7
38. For J = 2 + 3/2 obtain the states [j, m; j
1
, j
2
> in terms of the states [j
1
, m
1
> [j
2
, m
2
>
and the seconds in terms of the rst ones.
39. For the case J = 1 +3/2. a) What are the possible values of J?, b) Get [3/2, 1/2;J
1
= 1,
J
2
= 3/2 >, c) Get [1, 0; J
1
= 1, J
2
= 3/2 > and d) Get [1, 1 > [3/2, 1/2 >.
40. What are the possible values of
J
1
J
2
,
J
1
J and
J
2
J .
4.5.4 Applications
Raman Spectroscopy
41. Shortly, what is the Raman spectra and what are the typical wavelengths an frequencies
involved.
42. Estimate the frequency emitted when a hydrogen molecule (H
2
, B = 1/2I = 7.54 10
3
eV) decays to the ground state of the rotational spectra. The temperature needed to see it.
E =
2
/2I = so = /8m
p
r
2
2 10
11
hz. T = 4/k
B
19
o
K. I
1
= 2m
p
r
2
a
3.3 10
47
Kgm
2
, I
2
= (8/5)m
e
r
2
a
1.5 10
50
Kgm
2
rot.
(1/2)
_
2/m
p
r
2
a
2 10
11
hz.
154 CHAPTER 4. ANGULAR MOMENTUM
43. For a gas constituted of monatomic molecules at temperature T obtain the average en
ergy?.
A: < E >= [
l
e
l(l+1)/2Ik
B
T
l(l+1)/2I]/[
l
e
l(l+1)/2Ik
B
T
] [
_
dle
l
2
/2Ik
B
T
l
2
/2I]/[
_
dle
l
2
/2Ik
B
T
]
= k
B
T [log
_
dle
l
2
]
= k
B
T[log(1/2)
_
/]
= k
B
T
Pauli Equation
44. For the hydrogen atom, considering the electron spin nd: a) the complete wavefunction
for the states 2s and 2p, b) the same for the states 3s and 3p, c) given that the strongest
line of hydrogen is the line H
line?.
A: For the case of the hydrogen atom the wave function, considering the spin is
nlm
l
sms
=
R
nl
Y
lm
l
sms
(work out the cases n=1,2). A more convenient basis is
nJm
J
ls
= R
nl
m
l
ms
Y
lm
sms
.
45. For the hydrogen atom, considering the electron and proton spin nd: a) the complete
wavefunction for the states 1s and 2p, b) how many lines are really present in this tran
sition?.
46. For the spinspin interaction, H
= As
1
s
2
show that the solution can be written as
= (x)
s
1
s
2
. Find out their energy eigenvalues.
A: Given that J = s
1
+ s
2
one obtains that s
1
s
2
= (J
2
J
2
1
J
2
)/2 so E
J
=
A[J(J+1)J
1
(J
1
+1)J
2
(J
2
+1)]/2 and = (x)
J
m
J
== (x)
m
1
m
2
C
Jm
J
s
1
m
1
,s
2
m
2
s
1
m
1
s
2
m
2
47. Show that the Semiclassical Theory of Radiation is a Gauge Theory: it is invariant under
the transformation, for all function (x)
exp[i(x)], qA qA+ (4.90)
Magnetic Moments in magnetic elds
48. A paramagnetic media (Reif 261) has temperature T and it is immersed in an external
magnetic eld B. If its molecules have magnetic momenta what is their average energy?.
4.5. ANGULAR MOMENTA EXERCISES 155
A:
< E > = [
m
(g
B
mB)e
g
B
mB/k
B
T
]/[
m
e
g
B
mB/k
B
T
] = k
B
T
log
_
l
m=l
e
m
_
l
m=l
x
m
= x
l
2l
k=0
x
k
= x
l
_
1 x
2l+1
1 x
_
=
x
(2l+1)/2
x
(2l+1)/2
x
1/2
x
1/2
=
sinh[(2l + 1)/2]
sinh[/2]
< E > = k
B
T
log
_
sinh[(2l + 1)/2]
sinh[/2]
_
=
g
B
B
2
_
(2l + 1) coth
_
2l + 1
2
_
coth
_
2
__
< m > =
1
2
_
(2l + 1) coth
_
2l + 1
2
_
coth
_
2
__
< E >
1
3
l(l + 1)
(g
B
B)
2
k
B
T
(4.91)
with = g
B
B/k
B
T, x = exp[], and given that coth x x+x/3 + . The last limit
is the Curies law, Reif 214 valid when T .
49. What is the typical energy splitting produced in a atom by the earth magnetic eld?
A: E = g
B
Bm 1 (5.8 10
5
eV/T) (5 10
5
T) 1 3 10
9
eV, = E/2
3 10
9
/2 6.6 10
16
0.7 MHz 700 Khz.
source B [T] E [eV] [Mhz]
Interestelar 10
10
Earth surface 5 10
5
3 10
9
0.7
magnet 10
2
10
1
Sun 10
2
Large Magnet 230 10
3
2 10
5
Pulsed magnet 5001000
Pulsar Magnetar 10
812
Nuclear surface 10
12
Table 8: Pulsar magnetar, Record GammaRay Flare Is Attributed to a Hypermagnetized
Neutron Star in Our Galaxy (Search & Discovery), Phys. Tod. may.05
50. Show that (W. Louisell in [6])
a
1
= i
1
a
1
+ ie
i(t+
a
2
a
2
= i
2
a
2
ie
i(t+
a
1
a
1
(t) = e
i
1
t
_
a
10
cosh(t) + ie
i
a
20
sinh t
a
2
(t) = e
i
2
t
_
a
20
cosh(t) ie
i
a
10
sinh t
(4.92)
156 CHAPTER 4. ANGULAR MOMENTUM
51. Commute the time needed by a magnetic dipole to radiate its energy.
A: P = (2/3)
4
2
, E = B so T = 1/
2
(B)
3
= m
2
e
/(B)
3
= 137 (10
6
)
2
10
16
/(10
40.1
)
3
s = 10
11
s
52. What is Nuclear magnetic Resonance (NMR)?. Why is it important?, can we do it by
using the electron spin?
53. To what temperature is it necessary to heat a hydrogen gas in order to be able to observe
the NRM, if it is in presence of a earth magnetic eld (B 0.5 Gauss)?
54. What is the most general motion of a magnetic dipole momenta in a Constant Mag
netic Momenta?, classically?, quantically?. What is the dierence with the SternGerlag
experiment?
55. What are the Cyclotron and the Larmor frequencies?
56. What is the phenomena of electron paramagnetic Resonance (ESR), and its utility?.
57. What is parahydrogen?, orthohydrogen?, parapositronium?, orthopositronium?, etc.
Bibliography
4.6 Angular Momenta references
[1] Angular momentum.
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K. Rao and V. Rasjeswari, Quantum Theory of Angular Momentum: Selected Topics,
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S. FrankeArnold, et al., New J. of Phys. 6, 103 (2004)
S. Barnett and D. Pegg, Phys. Rev. A 41, 3427 (1990).
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B. Wybourne, Classical Groups for Physicists, Wiley 1974.
R. Slansky, Group theory for Unied Model Building, Phys. Rep. 79, 1 (1981).
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H. Georgi, Lie Algebras in Particle Physics (Lie Algebras in Particle Physics), Perseus
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P. Carruthers, Spin and Isospin in Particle Physics, Gordon and Breach 1971.
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J. Humphreys, Introduction to Lie Algebras and Representation Theory, Springer 1972.
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G. Uhlenbeck and S. Goudsmit, Naturw., 13, 953 (1925); Nature 117, 264 (1926). Eisberg,
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Phys. Tod. Jun.76, p. 40.
S. Tomonaga, The Story of Spin, U. Chicago Press 1997.
R. Clark and B. Wadsworth, A new spin on nuclei, Phys. World, Jul.98, pag. 25 (1998).
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158 BIBLIOGRAPHY
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O. Stern, Z. Phys. 7, 18 (1921).
W. Gerlach and O. Stern, Z. Phys. 8, 110 (1922); 9, 349 (1922); 9, 353 (1924); Ann. Phys.
74, 45 (1924).
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B. Friedrich and D. Herschbach, Stern and Gerlach: How a Bad Cigar Helped Reorient
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p
First time
I. Esterman and O. Stern, Z. Phys. 85, 17 (1933).
p
First time
J. Kellogg, I. Rabi, and J. Zacharias, Phys. Rev. 50, 472(1936).
p
First time. NRM
method.
L. Young Phys. Rev. 52, 138 (1937). Review at that time.
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N. Ramsey, Early magnetic resonance experiments: roots and oshoots, Phys. Tod. Oct.
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G. Pake, NMR in bulk matter, Phys. Tod. oct.93, 40; Sci. Amer., Magnetic Resonance,
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A. French and E. Taylor, An Introduction to Quantum Physics, W. Norton 1978. p. 492
J. Rigden, Isaac Rabi: walking the path of God., Phys. World, nov.99.
C. Guillou and F. Reniero, Magnetic Resonance snis out bad wine, Phys. World, Nov.
98, pag.22.
R. Macomber, A complete introduction to modern NMR spectroscopy, Wiley 1998.
P. Hore, NMR: the toolkit, Oxford 2000.
B. Schwarzschild, Lauterbur and Manseld awarded Nobel Medicine Prize for magnetic
resonance imaging, Phys. Tod. Dec.03, 24.
J. Weil, J Bolton and J. Wertz, Electron Paramagnetic Resonance : Elementary Theory
and Practical Applications, Wiley 1994.
W. Louisell, A. Yariv and A. Siegman, Phys. Rev. 124, 1646 (1961). Sol. Paraequ.
A. Lande, Phys. Rev. 46, 477 (1934).
Chapter 5
Theory of Perturbations
In general analytical solutions can be obtained in very few situations. This is the case in Classi
cal, Quantum Physics or in any real situation case. Thus the equations describing (modelling)
a real situation are very complicate. It is fortunate that in many cases (but not in all, like
in Strong Interactions) an approximate solution is available. Of course this solution can be
improved when more and more corrections (perturbations) are taken into account.
Let us mention few examples:
1. The earth orbit is said to be an ellipse and it is in a very good approximation. It can be
obtained from the Newton Gravitational law between the sun and the earth. However this
is only an approximation!. In general one has many bodies in the solar system and the
problem can be very complicated. Fortunately the other contributions (Moon, Jupiter,
Venus, nite size of the sun, etc) happen to be small perturbations that correct the rst
approximation!, and even they can be ignored in many situations!.
2. In the experiment of Rutherford it is assumed that particles are scattered by the nucleus,
by a Coulomb force. Of course this is only a rst approximation. Additional eects are
the motion of the particle and the nucleus (the Coulomb potential is valid for static
charges!), relativistic eects, quantum eects (in NR QM one obtains the same Rutherford
cross section!, but this is again a rst approximation), magnetic elds, etc.
3. For hydrogenic atoms again one take the Coulomb potential and nd an analytical solu
tion. Once more this may be a good approximation (depending on the available accuracy)
but many corrections are present: relativistic, electron and neutron magnetic momenta,
Quantum corrections to the Coulomb potential an so on.
Of course many more example can be mentioned. This nice fact of nature is proted by
perturbation theory and is the main topic of this chapter. In other cases analytical solution
are not available but approximate solutions can be obtained. This is the second topic of this
chapter.
159
160 CHAPTER 5. THEORY OF PERTURBATIONS
5.1 Time independent perturbations (RayleighSchr odinger)
5.1.1 No degenerate case
Suppose H = H
0
+ H
with [H
[ << [H
0
[ in a sense that can be precised later. Suppose that
one can solve the unperturbed hamiltonian:
H
0
(0)
n
= E
(0)
n
(0)
n
(5.1)
and of course one wish to solve the complete problem: H
n
= E
n
n
. If the perturbation is
not very large (H
<< H
0
, see Fig. 1) one has that
n
=
m
C
nm
(0)
m
(5.2)
Once this is replaced in the complete equation it is obtained that
m
C
nm
H
(0)
m
=
m
(E
n
E
(0)
m
)C
nm
(0)
m
(5.3)
now one can multiply by
(0)
l
and integrate over all the space to get the eigenvalue equation
m
[H
lm
(E
n
E
(0)
l
)
ml
]C
nm
= 0 or
m
H
lm
C
nm
= (E
n
E
(0)
l
)C
nl
(5.4)
with H
nl
=
_
dV
n
H
l
. In order to solve it, for a weak perturbation an iterative solution
can be obtained. Both the energy and the constants can be expanded in powers of H
C = C
(0)
+ C
(1)
+ C
(2)
+
E = E
(0)
+ E
(1)
+ E
(2)
+ (5.5)
Replacing in eq. (5.4) and taking the zeroth order terms
0 = (E
(0)
n
E
(0)
l
)C
nl
(0) (5.6)
and the solution, once the wavefunction is normalized at this order is C
n
l
(0) =
nl
. At rst
order the equation obtained from (5.4) is
m
H
lm
C
(0)
nm
= (E
(0)
n
E
(0)
l
)C
(1)
nl
+ E
(1)
n
C
(0)
nl
(5.7)
5.1. TIME INDEPENDENT PERTURBATIONS (RAYLEIGHSCHR
ODINGER) 161
if l = n then
E
(1)
n
= H
nn
(5.8)
and if l ,= n
C
(1)
nl
=
H
ln
E
(0)
n
E
(0)
l
for l ,= n
C
(1)
nl
= 0 for l = n (5.9)
where the last result was obtained from the normalization condition for the wavefunction
at this order. At second order
m
H
lm
C
(1)
nm
= (E
(0)
n
E
(0)
l
)C
(2)
nl
+ E
(1)
n
C
(1)
nl
+ E
(2)
n
C
(0)
nl
(5.10)
If l = n then one can get
E
(2)
n
=
m=n
[H
nm
[
2
E
(0)
n
E
(0)
m
(5.11)
For l ,= n one can obtain
C
(2)
nl
=
1
E
(0)
n
E
(0)
l
_
m=n
H
nm
H
lm
E
(0)
n
E
(0)
m
nn
H
nl
E
(0)
n
E
(0)
l
_
(5.12)
and again to have the wavefunction normalized to this order (see Sakurai, for Rayleigh)
C
(2)
nn
=
1
2
l=n
[H
ln
[
2
(E
(0)
n
E
(0)
l
)
2
(5.13)
5.1.2 Degenerate case
In this case one has to do the same eq. (5.6) but care has to be taken in order to account for
the possible degeneracy. In this case if l, n / same label then C
(0)
nl
= 0 and if l, n the same
level then the C
(0)
nl
are undeterminate.
To rst order the obtained relation is
m
C
(0)
nm
H
lm
= (E
(0)
n
E
(0)
l
)C
(1)
nl
+ E
(1)
n
C
(0)
nl
(5.14)
162 CHAPTER 5. THEORY OF PERTURBATIONS
That in the case l, n the same level
m
_
H
lm
lm
E
(1)
n
_
C
(0)
nm
= 0 (5.15)
This equation determinates completely the wavefunction to zeroth order and the energy
spectra to rst order. Notice that for each level a set of equations (corresponding to its de
generacy) have to be solved. In the case l, n / the same level (given that C
(0)
nl
= 0 in this
case)
m
C
(0)
nm
H
lm
= (E
(0)
n
E
(0)
l
)C
(1)
nl
, C
(1)
nl
=
1
nl
E
(0)
n
E
(0)
l
mn
H
lm
C
(0)
nm
(5.16)
Naturally C
(1)
nl
= 0 when l, n the same label remains undeterminate. As before the
normalization condition forces them to vanish.
5.2 Time dependent Perturbation Theory
In the case the Hamiltonian can be written as H = H
0
+ H
(t), with H
0
a time independent
operators with eigenvalues and eigenvectors: H
0
n
= E
n
n
. The time dependent perturbation
is described by H
(t). The system now has to satisfy the time dependent SE: /t = H.
For small time dependent perturbations the full wavefunction can be expanded in terms of
the unperturbated eigenfunctions:
(t) =
m
c
m
(t)e
iEmt
m
(x)
i c
n
(t) =
m
e
inm
H
nm
c
m
(5.17)
where the last equation was obtained by replacing the rst in the time dependent SE and
projecting into the nstate. The matrix element of H
is dened as H
nm
(t) =
_
n
H
(t)
m
d
3
x
and
nm
= E
n
E
m
. In the case the perturbation is small one can solve for the coecients
c in powers of H
: c
n
= c
(0)
n
+ c
(1)
n
+ c
(2)
n
+ . At order zero the coecients are constant:
c
(0)
n
= 0 and if initially the system was in the state n
0
one has that c
(0)
n
=
nn
0
. At this order
the perturbation obviously doesnt have any eect. At rst order one obtains
i c
(1)
n
(t) =
m
e
inm
H
nm
c
(0)
m
c
n
(t) =
nn
0
i
_
t
0
dt e
inn
0
t
H
nn
0
+ (5.18)
The process can be continued to higher orders. In this case energy is not conserved: in
order to perturb the system one has to add or extract energy.
5.2. TIME DEPENDENT PERTURBATION THEORY 163
H
I
(t
)U(t
, t
0
)
U(t, t
0
) = 1 i
_
t
t
0
dt
1
H
I
(t
1
) + (i)
2
_
t
t
0
dt
1
H
I
(t
2
)
_
t
1
t
0
dt
2
H
I
(t
2
) + (5.22)
The integrals can be rearranged by using the identities like
_
t
t
0
dt
1
H
I
(t
1
)
_
t
1
t
0
dt
2
H
I
(t
2
) =
1
2!
_
t
t
0
dt
1
_
t
t
0
dt
2
T[H
I
(t
1
)H
I
(t
2
)]
_
t
t
0
dt
1
H
I
(t
1
)
_
t
1
t
0
dt
2
H
I
(t
2
)
_
t
2
t
0
dt
3
H
I
(t
3
) =
1
3!
_
t
t
0
dt
1
_
t
t
0
dt
2
_
t
t
0
dt
2
T[H
I
(t
1
)H
I
(t
2
)H
I
(t
3
)] (5.23)
where T means the time ordered product. Thus the complete solution can be written as
U(t, t
0
) = T exp
_
i
_
t
t
0
dt
H
I
(t
)
_
, S lim
t,t
0
U(t, t
0
) = T exp
__
d
4
x/
I
(x)
_
(5.24)
5.4. SEMICLASSICAL APROXIMATION (WKB METHOD) 165
5.4 Semiclassical Aproximation (WKB Method)
The WKB (From Wetzel, Kramers and Brillouin who introduced these techniques to QM)
method is equivalent to the semiclassical approximation. In Optics is the Eikonal equation, or
the Fermats principle (Landau II, 172 and Born and Wolf, Principles of Optics, 110). In this
approximation one considers expansions in powers of S/, to do that one replace = exp[iS/]
in the SE:
2
2m
2
+ V = E,
2
=
p
2
(x)
2
(5.25)
where p
2
(x) 2m(E V (x)). Given that = (iS/) exp[iS/] and
2
= [i
2
S/
(S/)
2
] exp[iS/],
(S)
2
i
2
S = p
2
= 2m(E V ) (5.26)
and expanding in powers of 1/: S = S
0
+ (/i)S
1
+ (/i)
2
S
2
+ and to second order
(S
0
)
2
2i(S
0
) (S
1
)
2
_
(S
1
)
2
+ 2(S
0
) (S
2
)
i
_
2
S
0
i
2
S
1
= p
2
(5.27)
1) To order zero one obtains the Hamilton equation for the Action (the Classical Mechanics)
: (S
0
)
2
= p
2
so
S
0
=
_
pdx =
_
_
2m(E V )dx (5.28)
2) At rst order the equation is 2(S
0
) (S
1
) +
2
S
0
= 0 so in 1D S
1
= p
/2p and
S
1
=
1
2
ln(p/p
0
) (5.29)
3) and nally to second order (S
1
)
2
+2(S
0
) (S
2
) +
2
S
1
= 0 and (see Landau 186 in
[1])
S
2
=
1
4
_
p
2
2p
3
1
p
_
p
p
_
_
S
2
=
1
4
_
p
p
2
+
_
p
2
2p
3
dx
_
=
m
4
_
F
p
3
+
m
2
_
F
2
p
5
dx
_
(5.30)
Given that (p
/p
2
)
= [(1/p)(p
/p)]
= (1/p)(p
/p)
(p
)
2
/p
3
one can solve for (p
/p)
/p =
(p
/p
2
)
+ (p
)
2
/p
3
and using the fact that p
= mF/p, with F = V
.
166 CHAPTER 5. THEORY OF PERTURBATIONS
Example: Decay
The decay of a nuclei is (A, Z) (A4, Z 2) +, with = (A = 4, Z = 2) is a particle
or Helium nuclei (see Fig. 2). This simple theoretical treatment [Nuclear Physics] was given
by Gamow, Condon and Gurney in 1928. Weisskopf 568,
Given that S
0
=
_
pdx = i
_
kdx, with k =
_
2(V E), one has at zeroth order
= exp[iS
0
/] = (0) exp
_
_
x
0
kdx
_
(5.31)
the signs are for decay and absorbtion, respectively. Now
(b)
(a)
= exp
_
_
b
a
kdx
_
, so
P(b)
P(a)
=
(b)
(a)
2
= exp [I] (5.32)
with I = 2
_
b
a
kdx. Now V = (1/4
0
)[(Z 2) 2e
2
/r] = 2(Z 2)/r (see Fig. 3) and
E = V (b) = 2(Z 2)/b [2(Z 2)/a]c or c a/b = E/[2(Z 2)(/a)]. The integral is
then (see Fig. 4)
I =
_
2E 2
_
b
a
_
b/r 1dr = 2
_
2E (2b)
_
tan
1
1/c1
0
sin
2
()d
= 2
_
2Eb
2
_
tan
1
_
_
1/c 1
_
_
c(1 c)
_
(5.33)
where tan
2
() b/r 1 (r = b cos
2
()). The Reduced mass = 4(A 4)m
p
/A and
I = 8(Z 2)
_
2(A 4)m
p
/AE
_
tan
1
_
_
1/c 1
_
_
c(1 c)
_
(5.34)
with a = (A4)
1/3
1.4 10
15
mts. The collision frequency is v/2a, where v is the average
speed inside the nuclei and 2a is its diameter. The frequency of emission is equal to the collision
frequency time the probability of going out (exp[I]), so the lifetime is
1/2
= (2a/v) exp[I] (5.35)
Taking v c/10 and
1
= 137.04 and m
p
= 938.2 MeV on get for the
230
Th
90
(E
= 4.82
MeV) that 2(Z 2)/a = 29.8 MeV, c = 0.1617 and I = 100.47 0.789 = 79.24 and T
1/2
=
1.35 10
13
seg = 4.4 10
5
years, to be compared withe the experimental value T
Exp.
1/2
= 8 10
4
years. Another case is the
232
Th
90
(E
E
(5.36)
with and constants. This is the so called GeigerNuttal law (19112). See N. Ashby and
S. Miller, principles of Modern Physics, p. 447; Gasiorowicz in ref. [1, Nuclear Physics], pgs.
9092 and g. 513; Park 3D problem and Schi p. 271 (range of validness). See Weisskopt
578, table 3.2; Cottingham p. 82 table 6.1. Park 451.
5.4.1 BohrSommerfeld Quantization rules
Semiclassical approximation is not valid at the return points where the momenta vanish p = 0.
At these points points the SE has to be solved, without employing this approximation. Far
from these points (see Fig. 5) the wavefunction can be approximated as
I
(x) =
C
1
q
exp
__
x
a
q dx
_
,
III
(x) =
C
3
q
exp
_
_
x
b
q dx
_
II
(x) =
C
2
q
exp
_
i
_
x
a
k dx
_
+
C
q
exp
_
i
_
x
a
k dx
_
(5.37)
with q
2
= 2m(V E) 0, k
2
= 2m(E V ) 0 and unknown constants have to be
determinated by the boundary and normalization conditions. In order to complete the solution
one has to solve the SE at the return points a and b. For x a the potential can be expanded
as V (x) = E F(x a) + , with F = V
2mF(a x) = 0,
= 0 (5.38)
where in order to obtain the second form of the SE
1/3
(a x) with = 2mF. The
solution is the the Airy function () [4]. Thus the solution for x a is
(x) = A
() A
_
[1/2
1/4
] exp[2
3/2
/3] if
[1/[[
1/4
] sin[2[[
3/2
/3 + /4] if
A
_
[1/2
q] exp[
_
x
a
q dx] if x
[1/
k] sin[
_
x
a
k dx + /4] if x
(5.39)
given that q
2
= 2mF(a x) =
2/3
, k
2
= 2mF(x a) =
2/3
[[ and
_
a
x
q dx =
2
3
3/2
,
_
x
a
k dx =
2
3
[[
3/2
(5.40)
5.4. SEMICLASSICAL APROXIMATION (WKB METHOD) 169
At the other return point x b the potential is again expanded V (x) = E+F
(xb) + ,
with F
= V
2mF
(x b) = 0,
= 0 (5.41)
with
1/3
(x b) and = 2mF
() B
_
[1/2
1/4
] exp[2
3/2
/3] if
[1/[[
1/4
] sin[2[[
3/2
/3 + /4] if
B
_
[1/2
q] exp[
_
x
b
q dx] if x
[1/
k] sin[
_
b
x
k dx + /4] if x
(5.42)
given that q
2
= 2mF
(x b) =
2/3
, k
2
= 2mF
(b x) =
2/3
[[ and
_
x
b
q dx =
2
3
3/2
,
_
b
x
k dx =
2
3
[[
3/2
(5.43)
One can see how these solutions have the same form of the semiclassical expansion: one can
mach the semiclassical solutions by choosing properly the constants c. Furthermore the two
solutions, at x = a and b have to be the same in the region II!, so
II
(x) =
A
k
sin
__
x
a
k dx + /4
_
=
B
k
sin
__
b
x
k dx + /4
_
(5.44)
for all a < x < b. In order to do that one has to rewrite the second expression
sin
__
b
x
k dx + /4
_
= sin
_
_
x
a
k dx +
_
x
a
k dx +
_
b
x
k dx + /4
_
= sin
__
x
a
k dx
_
b
a
k dx /4
_
Asin [(x)] = Bsin
_
(x)
_
b
a
k dx /2
_
(x)
_
x
a
k dx + /4 (5.45)
and given that sin = (1)
n
sin ( n) and A = B one can conclude the quantization
rules of BohrSommerfeld:
_
b
a
p dx =
_
b
a
_
2m[E V (x)] dx = (n + 1/2) (5.46)
where a and b are the return points: V (a) = V (b) = E, for a given energy.
170 CHAPTER 5. THEORY OF PERTURBATIONS
5.5 Variational principle
The Variational Principle was rst applied by Lord Rayleigh in 1873 in Acoustics. Later on
the method was improved by W. Ritz in 1908. The basics of it it is the fact that
E[] =
< [H[ >
< [ >
E
0
(5.47)
where E
0
is the energy of the ground state and is an arbitrary wavefunction satisfying the
boundary conditions. In order to show it one can decompose the wavefunction in terms of the
unknown eigenfunctions of H: =
n
a
n
n
. In this way one nds that
E[] E
0
=
n
[a
n
[
2
(E
n
E
0
)
n
[a
n
[
2
0 (5.48)
given that E
0
is the ground state energy. In practice one has to make a guess of the
function based into previous experience. Normally the wavefunction is chosen with several
(few) arbitrary parameters, that are then chosen to minimize E[]. The guessed wavefunction
is not totaly arbitrary as it has to satisfy the boundary conditions, no nodes can be present
for the ground state and it and its derivative have to be continuous as usual. The method
can be improved (see PaulingWilson 189 in [1] and [2]) to obtain an upper bound too, thus
(E = E[] =< [H[ > and D =< [H
H[ >)
E
D E
2
E
k
E +
D E
2
(5.49)
The method can be applied to exited states too. Assuming one has solved for N levels (knows
E
0
, E
1
, E
N
and
0
,
1
,
N
as accurate as possible) and try to compute the next level (E
N+1
and
N+1
). Once again a trial function has to be choosen satisying the boundary conditions,
orthogonal to the lower energy wavefunctions (< [
n
> for n = 0, 1, N), constinuos as usual
and with N nodes. As before can be decomposed in terms of the unknown eigenfunctions:
=
n>N
a
n
n
and
E[] E
N+1
=
nN+1
[a
n
[
2
(E
n
E
N+1
)
nN+1
[a
n
[
2
0 (5.50)
and again E[] E
N+1
5.6 Numerical Methods
5.6.1 Time independent 1D
Solving the timeindependent Schr. Eq. in 1 dimension (radial or linear) (ordinary di. eq.)
Bound State solutions
5.6. NUMERICAL METHODS 171
(x
i+1
) = (x
i
) +
(x
i
)x,
(x
i+1
) =
(x
i
) +
(x
i
)x
(x
i
) = 2m[V (x
i
) E](x
i
) (5.51)
In the shooting method one starts the space evolution in one of the boundaries, pe. x = a
with the known value (a) and a guess value for
nn
=
a
_
a
0
d x sin
2
(nx/a) (x b) =
a
sin
2
(nb/a)
b) E
(2)
n
=
_
a
_
2
m=n
sin
2
(nb/a) sin
2
(mb/a)
(n
2
m
2
)
2
/2ma
2
=
2m
2
m=n
sin
2
(nb/a) sin
2
(mb/a)
n
2
m
2
2. Find the relativistic corrections to the a) innite potential well and b) to the 1D harmonic
Oscillator.
A: The Hamiltonian for the relativistic H =
_
m
2
+ p
2
m+V (x) p
2
/2mp
4
/8m
3
+
+ V (x) = H
0
+ H
with H
= p
4
/8m
3
. For the innite potential well the correction
is E
(1)
n
= p
4
nn
/8m
3
. p
4
nn
=< n[ (id/d x)
4
[n >= (n/a)
4
and E
(1)
n
= (n/a)
4
/8m
3
.
For the harmonic oscillator case the correction to the energy is E
(1)
n
= p
4
nn
/8m
3
. Given
that p
4
nn
= (3
4
/2) [n(n + 1) + 1/2] one has that E
(1)
n
= p
4
nn
/8m
3
= (3
2
/16m) [n(n + 1) + 1/2]
3. A particle is inside an innite potential well 1D, with side a is perturbated by H
(x) =
eEx. Compute E
(1)
n
. A:
E
(1)
n
= H
nn
=
2eE
a
_
a
0
dx x sin
2
(nx/a) =
1
2
eEa, H
nl
=
4eEanl
2
(n
2
l
2
)
2
_
(1)
nl
1
_
n
=
(0)
n
+
16meEa
2
l=n
nl
(n
2
l
2
)
3
_
(1)
nl
1
_
(0)
l
E
(2)
n
=
_
4eEa
2
_
2
l=n
(nl)
2
(n
2
l
2
)
5
_
(1)
nl
1
_
2
(5.52)
4. For the harmonic oscillator potential, corrected by a linear term H
= eEx nd
(a) The rst two corrections to the energy levels. Compare with the exact solution.
(b) The wave function, to rst order.
A: E
(1)
n
=< n[bx[n >= bx
nn
= 0. And given that x
n,n1
= x
n1,n
=
_
n/2m.
5.7. PERTURBATION THEORY, EXERCISES 175
E
(2)
n
=
k=n
[H
nk
[
2
E
(0)
n
E
(0)
k
=
k=n
b
2
x
nk
x
kn
E
(0)
n
E
(0)
k
=
b
2
_
x
2
n,n1
n (n 1)
x
2
n,n+1
n (n + 1)
_
=
b
2
2m
2
This problem can be solved analytically by rewriting the Hamiltonian: H = p
2
/2m +
(1/2)m
2
x
2
+ bx = p
2
/2m + (1/2)m
2
_
(x + b/m
2
)
2
b
2
/m
2
4
_
. Than can be solved
(as a harmonic oscillator again!) by shifting the energy levels E
n
E
n
b
2
/2m
2
and
the same wavefunctions with x x b/m
2
. In agreement with the former results.
5. Find the corrections to the energy levels produced by an anharmonic potential to the 1D
harmonic oscillator (see W. Janke and H. Kleinert, Phys. Rev. Lett. 75, 2787 (1995)).
For H
= ax
3
+ bx
4
.
A: At rst order E
(1)
n
=< n[ax
3
+ bx
4
[n >= ax
3
nn
+ bx
4
nn
= bx
4
nn
. Given that x
4
nn
=
3[n(n + 1) + 1/2]/2
4
E
(1)
n
= 3b[n(n + 1) + 1/2]/2
4
. An analogous calculation can be
done for the lowest levels:
E
(1)
0
=
_
2
[
b
4
]d
_
2
d
=
3b
4(m)
2
, E
(1)
1
=
_
2
e
2
[
b
4
]d
_
2
e
2
d
=
15b
4(m)
2
,
E
(1)
2
=
_
(1 + 2
2
)
2
e
2
[
b
4
]d
_
(1 + 2
2
)
2
e
2
d
=
15b
2(m)
2
,
6. Get E
(1)
n
for a particle inside an innite potential well 1D, with side a perturbed by the
potential
H
(x) =
_
V
0
, , if 0 < x < b < a
0, otherwise
(5.53)
7. Two particles are conned inside an innite potential well os side a. If they interact
via H
= A(x
1
x
2
), so they can not be at the same position simultaneously. How is
modied its energy?. A:
(0)
n
1
n
2
(x
1
, x
2
) =
2
a
sin(n
1
x
1
/a) sin(n
2
x
2
/a), E
(0)
n
1
n
2
=
2
2a
2
_
n
2
1
m
2
1
+
n
2
2
m
2
2
_
E
(1)
n
1
n
2
= H
n
1
n
2
,n
1
n
2
=
A
a
2
_
a
0
dx
1
_
a
0
dx
2
sin
2
(n
1
x
1
/a) sin
2
(n
2
x
2
/a)(x
1
x
2
)
=
A
a
2
_
a
0
dx
1
sin
2
(n
1
x
1
/a) sin
2
(n
2
x
1
/a) =
A
8a
[2 +
n
1
n
2
] (5.54)
and for example E
(1)
11
= 3A/8a.
176 CHAPTER 5. THEORY OF PERTURBATIONS
H
aa
E
(1)
H
ab
H
ba
H
bb
E
(1)
= 0
with solution E
= (1/2)
_
H
aa
+ H
bb
_
(H
aa
H
bb
)
2
+ 4[H
ab
[
2
_
and c
b
= [H
aa
E
] c
b
/H
ab
.
In the case of the dipole (with spin 1/2) in presence of an arbitrary constant magnetic
eld, the Hamiltonian is ( = [[)
H
= B =
_
B
z
B
x
iB
y
B
x
+ iB
y
B
z
_
,
+
=
1
_
2B(B + B
z
)
_
B
B + B
z
_
=
1
_
2B(B + B
z
)
_
B + B
z
B
+
_
and E
= B. In the case the z axis is chosen along the B eld the solution reduces
appropriately.
9. Find the relativistic corrections to the a) 3D innite potential box and b) to the 3D
anharmonic Oscillator. A: H
= p
4
/8m
3
< p
4
> = < (p
2
x
+ p
2
y
+ p
2
z
)
2
>=< p
4
x
+ p
4
y
+ p
4
z
+ 2p
2
x
p
2
y
+ 2p
2
x
p
2
z
+ 2p
2
y
p
2
z
>
=
3
2
i=x,y,z
4
i
_
n
i
(n
i
+ 1) +
1
2
_
+
1
4
i=j=x,y,z
2
i
2
j
(2n
i
+ 1)(2n
j
+ 1) (5.55)
10. Show that for a central potential, including the perturbation (H
(r) = H
is diagonal: H
nlm, n
m
=< n[H
(r)[n
>
ll
mm
.
A:
H
nlm, n
m
(r) = < nlm[H
(r)[n
>=
_
dV R
nl
Y
lm
H
(r)R
n
l
Y
l
= [
_
0
r
2
drR
nl
H
(r)R
n
l
][
_
4
Y
lm
Y
l
m
] = H
nl, n
l
(r)
ll
mm
(5.56)
178 CHAPTER 5. THEORY OF PERTURBATIONS
11. Find the relativistic corrections to the a) 3D innite potential spherical well, b) to the
3D harmonic Oscillator and c) for a hydrogenic atom.
12. Suppose that the Nuclear radio is a 1 fm, and can be approximate by a uniform sphere
of constant charge density nd a) The Electric Potential produced by such model and
b) The Energy corrections produced to the Hydrogen atomic levels. Comment. What
happens for large atomic number, Z?
A: The potential becomes
V (r) =
_
Z[3(r/R)
2
2] /2R if rR
Z/r if r > R
H
= Z
_
1
2R
_
3(r/R)
2
2
1/r
_
(r R) (5.57)
and the shift for the ground state energy becomes, for the same level n
H
nlm,nl
m
= < nlm[H
[nl
>=
ll
mm
_
R
0
r
2
dr R
nl
H
(r)R
nl
ll
mm
[R
nl
(0)[
2
_
drr
2
H
= 4Z[
ns
(0)[
2
l0
ll
mm
_
R
0
dr
_
1
2R
_
3
_
r
R
_
2
2
_
1
r
_
=
32
15
Z[
nlm
(0)[
2
R
2
l0
ll
mm
=
32
15
ZR
2
_
1
_
Z
na
_
3
_
l0
ll
mm
=
64
15n
_
ZR
a
_
2
E
(0)
n
l0
ll
mm
, E
(1)
ns
4.3 10
10
E
(0)
n
(5.58)
that can be compared with the main corrections due to the hyperne structure:
E
hf
=
2
m
e
m
p
E
(0)
n
2.8 10
8
E
(0)
n
(5.59)
13. What are the corrections to the atomic levels of the Hydrogen atom produced by the
gravitational interactions, between the nuclei and the electron?. Compute it by using
perturbation theory and compare it with the exact result.
A: H
= Gm
N
m
e
/r and its matrix elements for the level n are
H
nlm,nl
m
= < nlm[H
[nl
>= Gm
N
m
e
ll
mm
< 1/r >
nl
=
ll
mm
Gm
N
m
e
Z
n
2
a
=
ll
mm
Z
n
2
, E
(1)
n
= (Z/n
2
) (5.60)
5.7. PERTURBATION THEORY, EXERCISES 179
with = Gm
N
m
e
/a
10
39
eV (a
n
2
. An
analytical calculation is possible by noticing that V = Z/r Gm
N
m
e
/r = Z
/r
with Z
= Z[1 + Gm
N
m
e
/Z]. Thus the spectra is E
n
= (/2)(Z
/n)
2
= E
(0)
n
+
E
(1)
n
+ , so E
(1)
n
= /n
2
in agreement with the results given previously. An explicit
calculation for the rst levels is
E
(1)
1s
=
_
0
e
2
[/]
2
d
_
0
e
2
2
d
= , E
(1)
2s
=
_
0
e
(1 /2)
2
[/]
2
d
_
0
e
2
(1 /2)
2
2
d
=
4
,
E
(1)
2p
=
_
0
e
[/]
4
d
_
0
e
4
d
=
4
,
This eect is very small given that Gm
p
m
e
/c = 5 10
40
. Even if this were not the
case the spectra is not modied and the correction is absorbed in the measurement and
therefore it is not possible to observed it.
14. A hydrogen atom is inside a gravitational eld H
= eEz
A: For n = 1 there is no degeneracy and E
(1)
1s
= eE < 1s[x[1s >= 0 (see g. 7).
For n = 2 one has to compute the matrix H
=
_
_
_
_
0 A 0 0
A 0 0 0
0 0 0 0
0 0 0 0
_
_
_
_
, E = 0,
1
=
_
_
_
_
0
0
1
0
_
_
_
_
[2p1 >,
2
=
_
_
_
_
0
0
0
1
_
_
_
_
[2p 1 >
E = A,
3,4
=
1
2
_
_
_
_
1
1
0
0
_
_
_
_
2
([2s > [2p0 >) (5.61)
Thus two levels remain unshifted ([2p 1 >), while the other two get mixed and go up
and down. Notice the the zcomponent of the angular momenta remains well dened but
the total angular momenta does not.
15. Consider an almost symmetric (in 3D) harmonic oscillator: V = (1/2)m
2
[x
2
+ y
2
+
(1 + )z
2
]. Find the lowest order corrections to the energy and the wave function of the
ground state.
A: H
= (1/2)m
2
z
2
so E
nxnynz
= (1/2)m
2
< z
2
>= (1/2)m
2
[(2n
z
+ 1)/2
2
z
].
180 CHAPTER 5. THEORY OF PERTURBATIONS
16. For a two dimensional innite well of dimensions a a, perturbated by H
= a(x
a
1
)(y a
2
), with 0 < a
1
, a
2
< a nd: a) the rst nonvanishing correction to the energy
levels, b) the orthonormal wave functions to lowest order. A: The unperturbated solution
is
E
(0)
nl
=
2
2ma
2
(n
2
+ l
2
),
(0)
nl
=
2
a
sin
_
n
a
x
_
sin
_
l
a
y
_
(5.62)
An considering the two degenerate states: [n = 2, l = 1 > and [n = 1, l = 2 > one
obtains
H
=
_
A
2
AB
AB B
2
_
(5.63)
with A =
_
4/a
2
sin(2a
1
/a) sin(a
2
/a) and B =
_
4/a
2
sin(a
1
/a) sin(2a
2
/a). The
eigenvalues and eigenvectors are
E = 0,
0
=
1
A
2
+ B
2
_
B
A
_
, and E = A
2
+ B
2
,
=
1
A
2
+ B
2
_
A
B
_
(5.64)
17. Solve the totally asymmetric rotor, for the state l = 0, 1. Consider that the inertia
momenta are I
z
, I
x
= I
y
I (Davidov p. 180). What about the symmetries?
H =
1
2
_
L
2
x
I
x
+
L
2
y
I
y
+
L
2
z
I
z
_
=
1
2
_
L
2
I
y
+
_
1
I
z
1
I
y
_
L
2
z
_
+
I
2I
2
x
L
2
x
= H
0
+ H
E
(0)
lm
=
1
2
_
l(l + 1)
I
y
+
_
1
I
z
1
I
y
_
m
2
_
H
=
I
2I
2
x
L
2
x
aL
2
x
=
a
4
_
L
2
+
+ L
2
+ L
+
L
+ L
L
+
_
(5.65)
For the no degenerate level l = 0 one can see that E
(1)
s
=< s[H
[s >= 0. In the
case of the next level, [l = 1, m = 0 > one has that E
(1)
p0
=< p0[H
+ L
+
L
+ L
L
+
_
[p0 >= (a/2) < p0[ (L
+
L
+ L
L
+
) [p0 >= 2a. In the
case of the third level degeneracy is present, for the states [l = 1, m = 1 > and one has
to diagonalize the matrix
H
=
I
2I
2
x
L
2
x
aL
2
x
=
a
4
_
L
2
+
+ L
2
+ L
+
L
+ L
L
+
_
=
a
2
_
1 1
1 1
_
(5.66)
5.7. PERTURBATION THEORY, EXERCISES 181
The eigenvalue equation becomes (a E)
2
a
2
= 0 with solutions (see Fig. 8)
E = 0,
0
=
1
2
_
1
1
_
, and E = a =
I
I
2
x
,
=
1
2
_
1
1
_
(5.67)
18. Suppose the totally symmetric rigid rotor is perturbated by H
= aL
x
. Consider l = 1
19. Suppose the totally symmetric rigid rotor is perturbated by H
= L
z
+ L
y
. Consider
l = 1. A:
H
=
_
_
i/
2 0
i/
2 0 i/
2
0 i/
2
_
_
(5.68)
with eigenvalue equation E[
2
E
2
+
2
] = 0. Then the solutions are:
E = 0,
0
=
1
_
2(1 +[[
2
)
_
_
1
i
2
1
_
_
, and E
=
_
a
2
+
2
,
=
1
2E
+
_
_
E
+
i
2
E
+
_
_
(5.69)
20. How do the energy levels of a hydrogenic atom change due to the SpinOrbit interaction
(H
= AL s), for the level n = 2 and the cases the the electron spin is 1/2, and the
hypothetical spin 1?
21. Suppose the spinspin (actually is the interaction between their magnetic momenta)
interaction between the nuclei and the electron (in the hydrogenic atom) is H
= As
1
s
2
.
Find the new levels of the old ground state n = 1. How is this related to the hyperne
structure of these atoms?. [s
1
, m
1
> [s
2
, m
2
> if a) s
1
= s
2
= 1/2 and b) s
1
= 1 y
s
2
= 1/2
A: Using the fact that if J s
1
+ s
2
then s
1
s
2
= (1/2)[J
2
s
2
1
s
2
2
] one nd that for
the rst case the two states are: A triplet ([11 >= [ >, [10 >= ([ > +[ >) /
2
and [11 >= [ >) with E
(1)
J=1
= A/4 and a singlet ([00 >= ([ > [ >) /
2) and
E
(1)
J=0
= 3A/4.
22. Workout the Zeeman eect (H
= (e/2m
e
)
= C exp (it). Find the probability of transition from the state a to the state b, as
a function of time. Discuss the case of resonance,
ba
= E
b
E
a
c
n
= i
_
t
0
dt
e
inn
0
t
A
nn
0
e
it
= iA
nn
0
e
i(nn
0
)t
1
i(
nn
0
)
(5.70)
P(n, t; n
0
, t = 0) = 4[A
nn
0
[
2
sin
2
(
nn
0
)t/2
(
nn
0
)
2
[A
nn
0
[
2
_
t
2
nn
0
(4t/)(
nn
0
), for t
26. A system in the ground state of the harmonic oscillator (1D) is aected by an external
perturbation, given by: a) H
= C(t)(T t), b) H
e
i
10
t
Cx
10
(t T) =
iC
2
e
iT
, P(n = 1, t; n = 0, t = 0) =
C
2
2m
(5.71)
27. If a system starts in the state a. Find the probability that after a time later is in the
state b (P(a, t = 0; b, t) =?) if it is aected by the interaction H
= A(t)(T t)
28. A hydrogen atom is aected by an electric eld for a time T: H
i +
b
j+r, where r is the position of the electron. The interaction is desctibed by the potential
V =
Z
R
=
Z
_
b
2
+ (vt)
2
+ r
2
+ 2vtx + 2by
Z(vtx + by)
_
b
2
+ (vt)
2
H
nm
=
Z(vtx
nm
+ by
nm
)
_
b
2
+ (vt)
2
a(t) = iZ
_
dt
vtx
nm
+ by
nm
_
b
2
+ (vt)
2
(5.72)
30. Find what is the Semiclassical Theory of Radiation.
5.7. PERTURBATION THEORY, EXERCISES 183
5.7.4 Semiclassical Approximation (WKB method) and Bohr
Sommerfeld quantization rules
31. Obtain the lifetime of a particle conned by the potential (Fig. 10). Estimated it for
typical values like V
0
= 2E = 10 MeV, a = 1 fm.
V (r) =
_
_
, if r < 0
0 if 0 < r < a
V
0
if a < r < 2a
0 if r > 2a
(5.73)
A:
I = 2
_
2a
a
dx
_
2[V
0
E] = 2
_
2[V
0
E] a
1/2
= (2a/v) exp[I] =
_
2ma
2
/E exp[2
_
2[V
0
E] a] (5.74)
32. FowlerNordheim, cold emission by metal, tunnel eect. Libo 257.
33. A particle with mass m and energy E is bounded in 1D by a potential of the form (Fig.
11)
V (x) =
_
_
, if x < 0
V
0
x/a if 0 < x < a
V
0
if a < x < 2a
0 if x > 2a
(5.75)
nd the lifetime of such particle as a function of its energy E. Work out the case V
0
= 10
MeV and a = 1 fm.
A: x
0
V
0
/a = E, so x
0
= aE/V
0
I = 2
_
2a
x
0
dx
_
2[V (x) E] = 2
__
a
x
0
dx
_
2(V
0
/a)[x x
0
] +
_
2a
a
dx
_
2(V
0
E)
_
=
4a
3
_
2V
0
_
(1 E/V
0
)
3/2
+
3
2
_
1 E/V
0
_
=
2
3
(5 2E/V
0
)
_
2V
0
a
2
(1 E/V
0
)
1/2
= (2x
0
/v) exp[(2/3)(5 2E/V
0
)
_
2V
0
a
2
(1 E/V
0
)] (5.76)
184 CHAPTER 5. THEORY OF PERTURBATIONS
34. Compute the lifetime of a particle bounded by a nite spherical well of depth V
0
, with
angular momenta l > 0. Hint: Find the Eective Potential. Rework the decay but
with the potential V (r) = l(l + 1)/2r
2
A: The return points are a and b =
_
l(l + 1)/2E
I =
_
b
a
dr
2
_
l(l + 1)
2r
2
E
_
=
_
l(l + 1)
b
_
b
a
dr
r
b
2
r
2
=
_
l(l + 1)
b
_
b
2
r
2
b log
_
2b
r
[
b
2
r
2
+ b]
__
(5.77)
35. Rework the decay but having into account the angular momenta.
A: The eective potential is
V =
2(Z 2)
r
+
l(l + 1)
2r
2
, V
0
2(Z 2)
a
+
l(l + 1)
2a
2
,
2(Z 2)
b
+
l(l + 1)
2b
2
E = 0
I =
_
b
a
dr
2(Z 2)
r
+
l(l + 1)
2r
2
E =
_
b
a
dr
r
_
l(l + 1)/2 + 2(Z 2)r Er
2
=
_
l(l + 1)/2 + 2(Z 2)r Er
2
b
a
+ (Z 2)
_
b
a
dr
_
l(l + 1)/2 + 2(Z 2)r Er
2
+
l(l + 1)
2
_
b
a
dr
r
_
l(l + 1)/2 + 2(Z 2)r Er
2
= a
_
V
0
E
(Z 2)
E
sin
1
_
Er + (Z 2)
_
(Z 2)
2
2
+ l(l + 1)E/2
_
b
a
l(l + 1)
2
log
1
r
_
2
l(l + 1)
2
_
l(l + 1)/2 + 2(Z 2)r Er
2
+ 2(Z 2)r + l(l + 1)/
_
b
a
= a
_
V
0
E
(Z 2)
E
_
sin
1
_
(Z 2) Eb
_
(Z 2)
2
2
+ l(l + 1)E/2
_
sin
1
_
(Z 2) Eb
_
(Z 2)
2
2
+ l(l + 1)E/2
__
l(l + 1)
2
log
a
b
(Z 2)b + l(l + 1)/2
_
l(l + 1)(V
0
E)/2 a + (Z 2)a + l(l + 1)/
(5.78)
36. Show that the centrifugal potential is negligible in comparison with the coulomb one
A:
V
cent.
V
Coul.
=
l(l + 1)
2r
2
r
2Z
=
l(l + 1)c
Zr
0.197
(90/137) 4
0.07 l
2
(5.79)
5.7. PERTURBATION THEORY, EXERCISES 185
37. Obtain the spectra for the innite well.
A: For a given energy the return points are the walls of the well, x = 0 and x = a.
BohrSommerfeld quantization rules are, then (V (x) = 0 inside the well)
2mE a = (n + 1/2), E
n
=
1
2
_
(n + 1/2)
2ma
2
_
2
(5.80)
that is close to the analytical result, specially for large n, the classical limit.
38. Obtain the spectra for the harmonic oscillator.
A: The return points are obtained by solving the equation 2E = m
2
x
2
, so x = a =
_
2E/m
2
. BohrSommerfeld quantization rules become in this case
_
a
a
_
2m(E m
2
x
2
/2)dx = 2m
_
a
0
a
2
x
2
dx = 2m
1
2
_
x
a
2
x
2
+ a
2
sin
1
(x/a)
_
a
0
= ma
2
= (n + 1/2), E
n
= (n + 1/2) (5.81)
the analytical result.
39. Find the energy spectra for the potential V (x) = if x < 0 and V (x) = Fx for x > 0 .
Compare wit the exact solution given in the exercises of chapter 1.
A: The return points are obtained by solving the equation E = Fx, so x = a = E/F.
The other return point is x = 0. BohrSommerfeld quantization rules become in this case
_
a
0
_
2m(E Fx) dx =
2mF
_
a
0
a x dx =
2
3
2mF a
3/2
= (n + 1/2)
E
n
=
_
(n + 1/2)
3
2
F
2m
_
2/3
=
_
F
2m
_
2/3
n
,
n
=
_
(n + 1/2)
3
2
_
2/3
(5.82)
Analitic
ns
2.3381 4.0879 5.5206 6.7867 7.9441 9.0226
Numer.
ns
2.3380 4.0878 5.5204 6.7863 7.9436 9.0216
Semic.
ns
2.32 4.08 5.52 6.78 7.94 9.02
Numer.
np
3.361 4.884 6.208 7.406 8.515 9.558
Semic.
np
3.26 4.83 6.17 7.37 8.49 9.54
[u
np
(0)[
2
(Numer.) 2.2 3.7 5.0 6.2 7.2 8.2
[u
np
(0)[
2
(Semic.) 1.45 2.15 2.74 3.28 3.77 4.24
Table 1:Exact (root of the Airy funtion), numerical and Semiclasical results, for l = 0, 1.
See C. Quigg and J. Rosner, Phys. Rep. 56, 167 (1979))
186 CHAPTER 5. THEORY OF PERTURBATIONS
40. Obtain the spectra for the potential V (x) = F[x[.
A: The return points are obtained by solving the equation E = F[x[, so x = a = E/F.
BohrSommerfeld quantization rules become in this case
2
_
a
0
_
2m(E Fx) dx = 2
2mF
_
a
0
a x dx =
4
3
2mF a
3/2
= (n + 1/2)
E
n
=
_
(n + 1/2)
3
4
F
2m
_
2/3
=
_
F
2
2m
_
2/3
n
(5.83)
41. Obtain the spectra for the anharmonic oscillator V = Fx
4
.
A: Given that the return points are x = a = (E/F)
1/4
_
a
a
_
2m(E Fx
4
) dx =
2mEa
2
_
1
1
1 t
4
dt = (n + 1/2)
E
n
=
_
(n + 1/2)
4
_
c
_
4
F
4m
2
_
1/3
, c =
_
1
1
1 t
4
dt = 1.748038 (5.84)
Thus E
0
= 0.55 (F/m
2
)
1/3
, E
1
= 2.38 (F/m
2
)
1/3
and so on.
42. Obtain the spectra for the anharmonic oscillator V = Fx
r
(x).
A: Given that the return points are x = 0 and x = (E/F)
1/r
_
a
0
_
2m(E Fx
r
) dx =
2mFa
r+2
_
1
0
1 t
r
dt = (n + 1/2)
E
n
= F
_
(n + 1/2)
2mF c
r
_
2r/(r+2)
, c
r
_
1
0
1 t
r
dt (5.85)
Thus E
0
= F(/2
2mF c
r
)
2r/(r+2)
, E
0
= F(3/2
2mF c
r
)
2r/(r+2)
and so on.
43. Obtain the spectra for the potential V (r) = if r < 0 and F log(r/r
0
) when 0 < r
44. For the Hydrogen atom with angular momenta l, using the Eective Potential (Compare
with the method used by Sommerfeld to explain the ne structure. See Eisbergs book)
A: In this case we have two quantization rules: l = n
= 1, 2, 3, and
_
p
r
dr = l
_
a
b
1
_
= n
r
= 0, 1, 2, 3, , E
n
=
2
_
Z
n
_
2
_
1 +
(Z)
2
n
_
1
n
3
4n
__
(5.86)
with the principal quantum number n = n
+ n
r
. The second terms give us the ne
structure, obtained by the rst time by Sommerfeld around 1919.
5.7. PERTURBATION THEORY, EXERCISES 187
45. BohrSommerfeld in 3D. Park and Rosner p. 19699, ref. pie pagina 196. See Phys.
World Jan.98, p. 29.
5.7.5 Variational Principle
46. Obtain the ground state energy for the innite well.
A: Lets try the function = Ax
= [A[
2
a
2+1
4
2
1
E() =
1
2ma
2
(2 + 3)( + 1)(2 + 1)
4
2
1
(5.87)
One can nd a solution a minima for = 1.0430653 with E = 9.97928 /2ma
2
> E
an.
0
=
2
/2ma
2
= 9.8696044/2ma
2
. Notice that additional minimae are obtained for < 0.5!
(?)
47. Obtain the spectra for the harmonic oscillator,
A: a) For the harmonic oscillator, for the ground state a good choice for the wavefunction
can be = Aexp[a
2
] with =
m x. Then
< [H[ > =
_
dx
1
2m
d
2
dx
2
+
1
2
m
2
x
2
_
=
[A[
2
2
_
de
2a
2
_
2a + (1 4a
2
)
2
=
[A[
2
2
_
2a + (1 4a
2
)
1
4a
_ _
2a
=
2
[a + 1/4a]
that has a minima for a = 1/2 and E = /2, = Ae
/2
.
48. Find the ground state energy for the potential V (x) = if x < 0 and V (x) = Fx for
x > 0 (see applications to the Quarkonium in C. Quigg and J. Rosner, Phys. Rep. 56,
167 (1979)). Compare with the exact solution given in the exercises of chapter 1.
A: One can take the trial function as pe. = Ax exp[x] (that satisfy the boundary
conditions) so
E =
_
0
dx xe
x
[(/2m) (x 2) + Fx
2
] e
x
_
0
dx xe
2x
=
(2)
3
2!
_
1
2m
_
2
(2)
2
2!
2
(2)
3
_
+
3!F
(2)
4
_
=
2
2m
+
3F
2
(5.88)
188 CHAPTER 5. THEORY OF PERTURBATIONS
it has a minima for = (3mF/2)
1/3
with E = (3
5/3
/2
4/3
)(F/
2m)
2/3
= 2.48(F/
2m)
2/3
to be compared with the numerical result E = 2.34(F/
2m)
2/3
49. Obtain the ground state energy for the potential V (x) = F[x[.
50. Obtain the spectra for the potential V (r) = Fr in 3D.
A: It was done with the oscillator wavefunction K. Novikov, Phys. Rev. D51, 5069
(1995).
51. Obtain the ground state energy for the anharmonic oscillator V = Fx
4
.
A: One can choose the trial function = Aexp[x
2
/2] so
< E > =
_
dxe
x
2
/2
[(1/2m)d
2
/dx
2
+ Fx
4
] e
x
2
/2
_
dxe
x
2
=
_
dx e
x
2
_
(1/2m)(
2
x
2
) + Fx
4
1
2m
_
2
2
_
+ F
3
4
2
_
=
4m
+
3F
4
2
(5.89)
There is a minima at = (3mF)
1/3
, and the value obtained for the ground state energy is
E
v.p.
0
= (3F/m
2
)
1/3
/2 = 0.72(F/m
2
)
1/3
that compares correctly with the value obtained
by the BohrSommerfeld quantization rules E
BS
0
= 0.55(F/m
2
)
1/3
52. Obtain the ground state energy for the anharmonic oscillator V = Fx
r
(r).
A: One can choose the trial function = Ax exp[x] that satisfy the boundary condi
tions
< E > =
(1/2m)
_
0
dxe
2x
(
2
x
2
2x) + F
_
0
dxe
2x
x
r
_
0
dxe
2x
x
2
=
2
2m
+
F
2
(r + 2)! (2)
r
(5.90)
There is a minima at = (1/2)[rF(r + 2)!/m]
1/(r+2)
, and the value obtained for the
ground state energy is E
v.p.
0
=?
53. Obtain the ground state energy for the potential V (r) = if r < 0 and F log(r/r
0
) when
0 < r
54. For the Hydrogen atom with angular momenta l, using the Eective Potential (Compare
with the method used by Sommerfeld to explain the ne structure. See Eisbergs book)
5.7. PERTURBATION THEORY, EXERCISES 189
55. Find the ground state of a heliumlike atom (an atom or ion with an atomic number Z
and two electrons .
A: The hamiltonian for this system is:
H =
1
2m
_
2
1
+
2
2
_
Z(1/r
1
+ 1/r
2
) + /r
12
(5.91)
For the ground state one can use the trial function = (a
3
/8) exp[a(r
1
+r
2
)/2], already
normalized. Thus
<
2
1
> = <
2
2
>= a
2
/4, < 1/r
1
>=< 1/r
2
>= a/2
< 1/r
12
> = [a
3
/8]
2
_
d
3
r
1
d
3
r
2
e
a(r
1
+r
2
)
/r
12
= [a
3
/8]
2
_
d
3
r
1
dr
2
r
2
2
2e
a(r
1
+r
2
)
l0
r
l
r
l+1
+
_
1
1
d cos P
l
(cos ) = [a
6
/16] 4
_
dr
1
r
2
1
dr
2
r
2
2
e
a(r
1
+r
2
)
l
r
+
=
a
6
4
_
0
dr
1
r
2
1
__
r
1
0
dr
2
r
2
2
r
1
e
a(r
1
+r
2
)
+
_
r
1
dr
2
r
2
e
a(r
1
+r
2
)
_
=
a
6
4
_
0
dr r
2
_
1
r
_
r
2
/a + 2r/a
2
+ 2/a
3
_
e
2ar
+ 2e
ar
/ra
3
+
_
r/a + 1/a
2
_
e
2ar
_
=
a
6
4
_
2/a
5
1/4a
5
1/2a
5
= 5a/16 (5.92)
so the expectation value of the Hamiltonian becomes
< H >= a
2
/4m(Z 5/16) a, E = m[(Z 5/16)]
2
(5.93)
given that it has a minima at a = (Z 5/16) 2m. The factor 5/16 is a rough measure
of the mutual screening of one electron over the other. See Park 486.
5.7.6 Numerical Methods
56. Solve numerically the potential V = Fx
4
57. Solve numerically the potential V = V
0
(x a) (Landau 231).
58. Workout numerically the collision of a wavepacket (pe. a gaussian one) with a rectangular
wall.
59. workout the HartreeFock case done in Kooning 65
190 CHAPTER 5. THEORY OF PERTURBATIONS
Bibliography
5.8 Perturbative approximations references
[1] A. Migdal and A. Leggett, Qualitative methods in Quantum Theory, Benjamin 1977.
N. Fr oman and P. Fr oman, JWKB Approximation, North Holland 1965.
A. Migdal and V. Krainov, Approximation methods of Quantum Mechanics, NEO Press
1960s.
[Nuclear Physics] S. Samuel, et al, Nuclear Physics (2nd ed.), J. Wiley 2004.
K. Krane and D. Halliday, Introductory Nuclear Physics, J. Wiley 1987.
K. Heyde, W. D. Hamilton (Editor), R. R. Betts (Editor), W. Greiner (Editor), Basic
Ideas and Concepts in Nuclear Physics, IOP 1994
J. Blatt and V. Weisskopf, Theoretical Nuclear Physics, Dover 1979.
W. Cottingham, D. Greenwood, An Introduction to Nuclear Physics, Sterling 1986.
B. Feld, Ann. Rev. Nucl. Sci. 2, 239 (1953).
decay
G. Gamow, Z. Physik 51, 204 (1928); G. Gamow and F. Houtermans, Z. Physik 52, 495
(1928); R. W. Gurney and E. U. Condon, Nature 122, 439 (1928) [CAS]; Phys. Rev. 33,
127 (1929).
J. Devaney, Phys. Rev. 91, 587 (1953); H. Bethe, Rev. Mod. Phys. 9, 69 (1937); B. Cohen,
Phys. Rev. 80, 105 (1950); H. Feshbach, D. Peaslee, and V. F. Weisskopf, Phys. Rev. 71,
145 (1947); M. Preston, Phys. Rev. 71, 865 (1947); P. Schuurmans, el al. Phys. Rev. Lett.
77, 4720 (1996).
Magic numbers remain magic, Physcsweb, News for June 2005; J. Fridmann, et al.,
Nature, 435, 922 (2005). Double magic number nuclei.
J. Perlman and O. Rasmussen, Alpha Radioactivity, Encyclopedia of Physics, 42 (1957).
[2] Variational principle
D. Weinstein, Proc. Nat. Acad. Sci., 20, 529 (1934).
J. MacDonald, Phys. Rev. 46, 828 (1934).
W. Janke and H. Kleinert, Phys. Rev. Lett. 75, 2787 (1995). Variational perturbation
theory.
191
192 BIBLIOGRAPHY
[3] WKB from: G. Wentzel, H. Kramers and L. Brillouin
H. Kramers, Zet. F ur Phys. 39, 828 (1926).
C. Quigg and J. Rosner, Phys. Rep. 56, 167 (1979).
Chapter 6
Topics in Atomic Physics
6.1 Hydrogenic atoms
6.1.1 Nuclei mass
The hidrogenic atom spectra is
E
n
=
2
_
Z
n
_
2
(6.1)
In the case of hydrogen the correction is E/E m
e
/m
p
5.4 10
4
. However for
positronium is as large of 50%. Historically this eect was used by H. C. Urey to discover
Deuterium in 1932 by observing the shift of its spectral lines with respect to the normal hydrogen
[Hydrogenic atoms].
6.1.2 Relativistic corrections at order (Z)
2
Relativistic eects are controlled by the size of the average speed, of the order of (Z)
2
_
E
E
_
E.F.
v
2
=
_
Z
n
_
2
0.5 10
5
(6.2)
where 1/137.035, the ne structure constant. The complete theory is the Dirac equation
(or better the QED), however a good approximation is obtained by using the Schr odingerPauli
Equation plus the relativistic eects treated as perturbations. In general the hamiltonian for
a bounded system of two dierent particles can be described by the BreitFermi one (Bethe
Salpeter 193, Donoghue 129, 335 and Lucha 198) [NRQM, ?, ?]
193
194 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
H =
p
2
2
e
r
+
5
i=1
H
i
= H
0
+
5
i=1
H
i
H
1
=
1
8
_
p
4
1
m
3
1
+
p
4
2
m
3
2
_
=
p
4
8
_
1
m
3
1
+
1
m
3
2
_
H
2
=
i
e
8
_
p
1
m
2
1
p
2
m
2
2
_
1
r
+
e
2m
1
m
2
r
[p
1
p
2
+ r (r p
1
p
2
)]
=
e
2
_
1
m
2
1
+
1
m
2
2
_
(3)
(r)
e
2m
1
m
2
r
_
p
2
+ r (r pp)
=
e
2
_
1
m
2
1
+
1
m
2
2
_
(3)
(r)
e
2m
1
m
2
_
2
r
p
2
1
r
3
L
2
+
_
p
2
,
1
r
_
4
(3)
(r)
_
H
3
=
e
2r
3
_
l
1
s
1
m
2
1
l
2
s
2
m
2
2
_
+
e
m
1
m
2
r
3
(l
1
s
2
l
2
s
1
) =
e
2r
3
_
L s
1
m
2
1
+
L s
2
m
2
2
_
+
e
L s
m
1
m
2
r
3
H
4
=
8
e
3m
1
m
2
(3)
(r)s
1
s
2
eff
m
1
m
2
r
3
T, with T = s
1
s
2
3(s
1
r)(s
2
r)
H
5
=
e
m
1
m
2
s
2
(3)
(r) (6.3)
where
e
= Ze
1
e
2
, r = [r[, r = r/r, e
i
is the charge of the respective particle in proton
charge units and in the CM p
1
= p
2
= p and L = l
1
= l
2
= r p.
1. The rst term correspond to relativistic correction to the kinetic energy.
2. The second takes into account the time light takes to travel from one particle to the other
particle.
3. The third is the so called spinorbit interaction. It is due to the interaction between the
magnetic eld generated by the rotating electron (l > 0) and its own magnetic momenta
( = g
e
(e/2m
e
) with g
e
2.00). This is the so called spinorbit interaction and its
Hamiltonian is (EisbergResnick p. 304, Bjorken p. 51 and Itzykson p. 71).
4. The fourth is the so called spinspin interaction and the
5. fth one takes into account the possible annihilation of the two particles in the case it is
possible.
Let us work them out using relations as (all are diagonal)
r
1
nlm
=
1
a
n
2
=
e.
n
2
, r
2
nlm
=
1
a
2
n
3
(l + 1/2)
=
(
e.
)
2
n
3
(l + 1/2)
, [
nl
(r = 0)[
2
=
l0
e.
n
_
3
r
3
nlm
=
_
e.
n
_
3
1
l(l + 1/2)(l + 1)
=
_
1
a
n
_
3
1
l(l + 1/2)(l + 1)
, p
2
= 2
_
H
0
+
e.
r
_
L
2
= r
2
p
2
+ 2ir p r (r pp) ,
_
p
2
,
1
r
_
= 4
(3)
(r) +
2i
r
3
r p,
__
p
2
,
1
r
__
nn
= 0 (6.4)
6.1. HYDROGENIC ATOMS 195
where (1/r) = 4
(3)
(r), a
= 1/
e.
is the Bohrs radius.
Kinetic energy corrections
Using the expression for p
2
one obtains that
E
1
=
2
2
_
1
m
3
1
+
1
m
3
2
_ _
E
2
n
+ 2
e.
E
n
_
1
r
_
nlm
+
2
e.
_
1
r
2
_
nlm
_
=
3
_
1
m
3
1
+
1
m
3
2
_
_
3
4
n
l + 1/2
_
_
e.
n
_
2
E
n
(6.5)
where E
n
is the lowest order energy (Bohrs spectra).
Retardation time contributions
Darwins term. The physical origin of this term can be imagined as the impossibility for the
electron of be in the same place of the proton and is only present for the sstates (l = 0),
where the probability that this happens is nonzero. Mathematically can be traced back to the
normalization of the wavefunction. The correction is (Bransden p. 641, Bjorken p. 52 and
Itzykson p. 71)
E
2
=
_
1
m
2
1
+
1
m
2
2
_
(
e
)
2
n
E
n
l0
_
2
3n
l + 1/2
+ 4n
l0
_
(
e
)
2
m
1
m
2
n
2
E
n
(6.6)
6.1.3 Case m
2
> m
1
In this case it is convenient to use the JJ scheme, J = L+s
1
+s
2
J
1
+s
2
. The wavefunctions
can be characterized as [njm
j
, lj
1
s
1
s
2
>n
2j
1
l
j
. In this case the annihilation term vanish and
in order to compute the spin terms one can use the identities (in this scheme)
L s
1
=
1
2
_
J
2
1
L
2
s
2
1
=
1
2
_
_
_
0 l = 0
l, j
1
= l + 1/2
l 1, j
1
= l 1/2
(6.7)
To compute the other expectation values for the terms proportional to L s
2
, (s
1
x)x and
s
1
s
2
one can show that L, (s
1
x)x and s
1
are vector, with respect to J
1
to obtain (see exercises,
or using the WignerEckart theorem)
196 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
L s
2
) =
L J
1
J
1
s
2
)
J
1
(J
1
+ 1)
=
[J
2
1
+ L
2
S
2
1
] [J
2
J
2
1
S
2
2
])
4J
1
(J
1
+ 1)
(s
1
x)x s
2
) =
(s
1
x)x J
1
J
1
s
2
)
J
1
(J
1
+ 1)
=
(s
1
x)
2
J
1
s
2
)
J
1
(J
1
+ 1)
=
x
2
[J
2
J
2
1
S
2
2
])
8J
1
(J
1
+ 1)
s
1
s
2
) =
s
1
J
1
J
1
s
2
)
J
1
(J
1
+ 1)
=
[L
2
J
2
1
S
2
1
] [J
2
J
2
1
S
2
2
])
4J
1
(J
1
+ 1)
T) =
[J
2
1
+ S
2
1
L
2
3/2] [J
2
J
2
1
S
2
2
])
4J
1
(J
1
+ 1)
(6.8)
given that x L = 0 and the fact that s
i
=
i
/2 The contribution with G = Ls
1
+3(s
1
r)r
and can be reduced by (see exercises for the reduction G J
1
= L
2
)
_
1
r
3
G s
2
_
=
1
J
1
(J
1
+ 1)
_
1
r
3
G J
1
J
1
s
2
_
=
1
J
1
(J
1
+ 1)
_
1
r
3
L
2
J s
2
_
=
l(l + 1)
J
1
(J
1
+ 1)
_
1
r
3
_
J
1
s
2
)
=
2(
eff
)
2
E
n
m
1
m
2
n
j(j + 1) j
1
(j
1
+ 1) s
2
(s
2
+ 1)
(2l + 1)J
1
(J
1
+ 1)
(6.9)
and the corrections to the energy are, then
E
2
e
E
n
=
_
3
4
n
l + 1/2
_
1
n
2
l0
n
j
1
(j
1
+ 1) l(l + 1) s
1
(s
1
+ 1)
nl(l + 1)(2l + 1)
_
m
1
_
2
_
1 +
2m
1
m
2
_
8
2
3m
1
m
2
n
l0
[j(j + 1) s
1
(s
1
+ 1) s
2
(s
2
+ 1)]
2
2
m
1
m
2
n
[j(j + 1) j
1
(j
1
+ 1) s
2
(s
2
+ 1)]
(2l + 1)j
1
(j
1
+ 1)
=
_
3
4
n
j
1
+ 1/2
_
1
n
2
j
1
(j
1
+ 1) l(l + 1) s
1
(s
1
+ 1)
nl(l + 1)(2l + 1)
_
m
1
/m
2
1 + m
1
+ m
2
_
2
2
2
m
1
m
2
n
[j(j + 1) j
1
(j
1
+ 1) s
2
(s
2
+ 1)]
(2l + 1)j
1
(j
1
+ 1)
(6.10)
where the last expression is valid in the case of s
1
= 1/2
Fine structure
In the case m
2
m
1
The ne contribution is of the order
2
e.
E
n
. There are three contributions
of this order: the relativistic corrections to the kinetic energy, the Darwin term and the spin
orbit to have
E
ne
=
2
e.
E
n
n
_
3
4n
1
j + 1/2
_
=
2
e.
E
n
n
_
3
4n
1
n
_
(6.11)
6.1. HYDROGENIC ATOMS 197
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Ionization
Hydrogenic atoms
Bohrs
1s
2s, 2p
3s, 3p, 3d
Fine
1s
1/2
2s
1/2
, 2p
1/2
2p
3/2
2s
1/2
, 2p
1/2
2p
3/2
, 2d
1/2
2p
3/2
, 2d
3/2
Lamb
1s
1/2
2p
1/2
61057 Mhz
2s
1/2
2p
3/2
Hyperne
1s
1/2
, f = 0
1s
1/2
, f = 1
6
1420 Mhz
2p
1/2
, f = 0
2p
1/2
, f = 1
2s
1/2
, f = 0
2s
1/2
, f = 1
2p
3/2
, f = 1
2p
3/2
, f = 2
Figure 6.1: Schematic representation of the energy levels of hydrogenic atoms, in the Bohrs,
Fine structure, Lamb shift, hyperne energy approximations. n
2S+1
L
J
A similar expression was obtained by Sommerfeld by assuming elliptical orbits (Eisberg
Resnick p. 127) with j + 1/2 = n
_
_
_
1 +
_
e.
n +
_
2
(
e.
)
2
_
2
_
_
1/2
1
_
_
, with = J + 1/2
m
_
1
1
2
_
e.
n
_
2
+
1
2
_
e.
n
_
4
_
3
4
n
j + 1/2
_
+ 1
_
(6.12)
with
e
= Z << 1. This expression is in agreement with the formula obtained before.
The ne structure of the energy spectra is shown in Fig. 1 (the spectral notation n
2s+1
l
J
has
been used) and the optical structure for the H
H
(2S
1/2
1S
1/2
) 2466 061 413.187 035 (10) 2466 061 413.187 103(46)
(
D
H
)(2S
1/2
1S
1/2
) 670 994.334 606 (15) 670 999.586 6(15)(15)*
+
e
(2S
1/2
1S
1/2
) 2455 528 941.0(98) 2455 528 935.4(14)
Table 6.3: 2S 1S transitions. * r
2
d
r
2
p
= 3.820 07(65) fm
2
[Lamb]
Method r
p, rms
H 0.84184(67)
e pscatt. 0.895(18)
H 0.876(8)
Codata 2006 [PDG] 0.8768(69)
Table 6.4: Proton radius extracted from dierent methods, including Lamb shift in Hydrogen
and muonic hydrogen [Lamb]
6.1. HYDROGENIC ATOMS 201
Element
exp.
[Mhz]
theo.
[Mhz]
H, 1s 1420.405 751 766 7(10) 1420.452
D, 1s 327.384 352 522 (2) 327.339
Tritium, 1s 1 516. 701 470 773 (8) 1516.760
3
He
+
, 1s 8665.649 867 (10) 8667.494
e 4463.302 776 (51) 4463.302 913 (511)(34)(220)
e
e
+
203 389.10 (74) 203 392.01(46)
H, 2s 177.556 860 (16) 177.556 8381(4)
D, 2s 40.924 454 (7) ?40.918 81
3
He
+
, 2s 1083.354 980 7 (88) ?1083.5853
e
e
+
2S 8624(3)
Table 6.5: Hyperne splitting for hydrogen and other elements.
2. the theoretical explanation was given by Fermi in 1924, who postulated that the nuclear
magnetic momenta produces a magnetic eld and it interacts with the electron due to its
electric charge and its magnetic momenta (see Fig. 3).
3. The order of magnitude of this corrections is E
2
(m
e
/m
p
) E
n
, so it is smaller than
the ne structure correction by an additional factor of m
e
/m
p
1/2000, for the hydrogen
atom.
4. For atoms like positronium, muonium and quarkonium this factor is one and ne structure
and hyperne structure are of the same size and have to be taken into account at the
same time.
5. The most important term is given by the nuclear magnetic dipole momenta, but there
are additional factors like [hyperne]:
(a) nucleia mass
(b) nonzero nuclear radius
(c) higher order multipolar momenta of the nucleia.
6. Here we only take into account the rst (Bransden p. 233, Gasiorowicz p. 277, Griths
p. 158, Eisberg p. 439, Bethe ).
7. The nuclear (electron) magnetic dipole is
N
= g
N
N
s
N
e
= g
e
B
s
e
(6.15)
(a) with
N
= e/2m
p
= 5.051 10
27
Jul./Tesla = 3.16 10
8
eV/Tesla is the nuclear
magneton,
202 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
(b) s
N
is the nuclear spin and g
N
is the gyromagnetic ratio: g
p
= 2 2.79278 and
g
n
= 2 (1.91315) [PDG].
(c) Similarly for the electron
B
= e/2m
e
= 2.27410
24
Jul./Tesla = 5.810
5
eV/Tesla
is the Bohr magneton,
(d) s is the electron spin and g
e
= 2.00232 its the gyromagnetic ratio.
8. The new states change from [njm
j
, ls
e
> to [nfm
f
, jls
N
s
e
>.
E =
g
N
m
e
2m
p
Z
2
n
E
n
f(f + 1) s
N
(s
N
+ 1) j(j + 1)
j(j + 1)(l + 1/2)
F = J +s
N
= L +s +s
N
(6.16)
9. Figure 7 shows a revised version of the structure of the hydrogen atom, including the
Lamb shift and hyperne structure.
10. Note that each hyperne state still has a 2f +1 degeneracy associated with the dierent
possible values of m
f
.
11. For example, in the ground state splits in an f = 0 state, the real ground state. The rst
exited state is a triplet with f = 1.
12. This degeneracy can be broken by the presence of an external magnetic eld. For the
specic case of the ground state of the hydrogen atom [hyperne] (n = 1), the energy
separation between the states of f = 1 and f = 0 is (see Fig. 4) is of the order =
1420 Mhz 5.9 10
6
eV, or the famous 21 cm line which is extremely useful to radio
astronomers for tracking hydrogen in the interstellar medium of galaxies.
13. The transition is exceedingly slow, but the huge amounts of interstellar hydrogen make
it readily observable. It is too slow to be seen in a terrestrial laboratory by spontaneous
emission, but the frequency can be measured to very high accuracy by using stimulated
emission, and this frequency is in fact one of the bestknown numbers in all of physics.
T 6 10
6
eV/8.6 10
5
eV/
o
K 0.1
o
K.
6.1.5 Case m
2
= m
1
= m
In this case the hamiltonian becomes
6.1. HYDROGENIC ATOMS 203
H =
p
2
2
+
e
r
+
4
i=1
H
i
H
1
=
1
4m
3
p
4
, H
2
=
e
m
2
(3)
(r)
e
2m
2
r
_
p
2
+ r (r pp)
H
3
=
3
e
2m
2
r
3
l s, H
4
=
8
e
3m
2
(3)
(r)s
1
s
2
eff
m
2
r
3
T
H
5
=
e
m
2
s
2
(3)
(r) (6.17)
and it is convenient to use the LS scheme, with J = L+s
1
+s
2
L+S. The wavefunctions
are then [njm
j
, lss
1
s
2
>n
2s+1
l
j
. Using the relation
< L S > = (1
l0
)(1
s0
)
_
_
_
l, for j = l + 1
1, for j = l
l 1, for j = l 1
< T > =
1
2
1
4l(l + 1) 3
_
6 < L S >
2
+3 < L S > 2L
2
S
2
(1
l0
)(1
s0
) (6.18)
The energy (with E
n
= (m/4)(
eff
/n)
2
)
E
1
=
_
3
4
n
l + 1/2
_
_
e.
2n
_
2
E
n
E
2
=
_
6n
l0
+ 2
3n
l + 1/2
_
_
e
2n
_
2
E
n
E
3
=
3
2
e.
E
n
2n
< L S >
l(l + 1)(2l + 1)
E
4
=
2
2
eff
E
n
3n
_
s(s + 1)
3
2
_
l0
2
eff
E
n
n
< T >
l(l + 1)(2l + 1)
E
5
= E
n
2
e.
2n
s(s + 1)
l0
(6.19)
and
E
1
+ E
2
=
_
11
16n
+
3
2
l0
2
2l + 1
_
2
e.
E
n
n
E
3
+ E
4
+ E
5
=
2
eff
E
n
n
_
7
6
s(s + 1) 1
_
l0
2
e.
E
n
2n
3 < L S > 2 < T >
l(l + 1)(2l + 1)
(6.20)
and
204 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
line
exp.
[MHz]
the.
[MHz]
1
3
S
1
1
1
S
0
203 389.1(7) 203 392.1(5)
2
3
S
1
1
3
S
0
1233 607 216.4(3) 1233 607 216.4(3)
2
3
S
1
2
3
P
0
18 499.7(42) 18 498.4(1)
2
3
S
1
2
3
P
1
13 012.4(17) 13 012.6(1)
2
3
S
1
2
3
P
2
8624(2) 8626.9(1)
2
3
S
1
2
1
P
1
11180(6) 11185.5(1)
2
3
S
1
2
1
S
0
 25 424.69(6)
Table 6.6: Ps transitions
E
njl
=
2
e.
E
n
n
_
11
16n
+
1
2
l0
2
2l + 1
+
lsj
_
,
l, s=1, j
=
7
3
l0
+
1
l0
2l + 1
_
_
(3l + 4)/(l + 1)(2l + 3) if j = l + 1
1/l(l + 1) if j = l
(3l 1)/l(2l 1) if j = l 1
(6.21)
and
l, s=0, j
= 0. Or(BetheSalpeter 117, Itzykson 493508, Akhiezer 532)
E
njl
=
2
2
e.
E
n
3n
_
11
32n
+
lsj
1
2l + 1
_
,
l, s=1, j
=
7
6
l0
+
1
l0
2(2l + 1)
_
_
(3l + 4)/(l + 1)(2l + 3) if j = l + 1
1/l(l + 1) if j = l
(3l 1)/l(2l 1) if j = l 1
(6.22)
and
l, s=0, j
= 0. For example
E(1
3
s
1
) E(1
1
s
0
) =
7m
4
12
_
1
_
32
21
+
6
7
ln 2
_
+
_
(6.23)
6.2 Hydrogenic atoms in external elds
6.2.1 Zeeman eect
1. It was observed by the rst time by P. Zeeman in 1896.
2. It consists in the splitting produced by an external magnetic eld.
3. The Hamiltonian for this case is, with A in the Coulomb gauge ( A = 0)
6.2. HYDROGENIC ATOMS IN EXTERNAL FIELDS 205
6
0
1
2
3
4
5
6
7 eV
J
P
= 0
1
+
0
+
1
+
2
+
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Dissociation Energy
Positronium: e
e
+
1
1
S
0
2
1
S
0
1
3
S
1
2
3
S
1
2
1
P
1
2
3
P
0
2
3
P
1
2
3
P
2
6
9.4
9.8
10.2
10.6
11 GeV
J
PC
= 0
+
1
1
+
0
++
1
++
2
++
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
B
B Threshold
..................
b
(1s)
..................
b
(2s)
..................
b
(3s)
(1s)
(2s)
(3s)
(4s)
(10860)
(11020)
Bottomonium: b
b
..................
h
b
(1p)
..................
h
b
(2p)
b
0
(1p)
b
0
(2p)
b
1
(1p)
b
1
(2p)
b
2
(1p)
b
2
(2p)
Figure 6.3: Positronium and Bottonium energy levels comparison. Notice the energies involved.
n
2S+1
L
J
206 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
H
=
e
m
A p +
e
2
2m
A
2
+ g
e
B
s B (6.24)
with g
e
2 for the electron.
4. In the case the magnetic elds doesnt change appreciably over atomic distances A =
B r/2 and
H
=
e
2m
B L + g
e
B
s B+
e
2
8m
_
r
2
B
2
(r A)
2
B
(L + 2s) B (6.25)
5. valid (the quadratic term can ne neglected) for weak elds :
e
2
A
2
/2m
aA/m
a
2
0
eB/4 B/10
6
Teslas (6.26)
Normal Zeeman eect
1. If the eld is strong enough so the produced splitting is very small in comparison with
the ne structure,
E
EF
E
Zeeman
Tesla
B
<< 1 (6.27)
2. so in this case one can ignore the Fine structure of the spectra and the energy shift of
the spectra are given as
E
nm
l
ms
=< nlm
l
, sm
s
[H
[nlm
l
, sm
s
>=
B
B(m
l
+ 2m
s
) (6.28)
3. The result is the splitting of the spectral lines in the Lorentz triplet , as it is shown in
the Fig. 6.
4. It was called normal because a classical explanation was possible: as it is shown in Fig.
6 the optical spectra is the same is spin is ignored.
5. Unfortunately is not so easy to produce because obtain magnetic elds stronger than one
Tesla in the lab conditions is not so easy.
6.2. HYDROGENIC ATOMS IN EXTERNAL FIELDS 207
level m
l
2m
s
m
l
+ 2m
s
1s 0 1 1
1s 0 1 1
2p 1 1 2
2s, 2p 0, 0 1, 1 1, 1
2p 1, 1 1, 1 0, 0
2s, 2p 0, 0 1, 1 1, 1
2p 1 1 2
Table 6.7: Normal Zeeman eect for the rst two levels of hydrogenic atoms. For the allowed
transitions see selection rules at subsection (7.1.6)
Anomalous Zeeman eect
1. Now the eld is weaker than one Tesla and Fine structure has to be taken into account.
The change in energy levels is
E
njm
j
,ls
= < njm
j
, ls[H
[njm
j
, ls >=
B
B(m
j
+ < njm
j
, ls[s
z
[njm
j
, ls >) = m
j
g
B
B
g = 1 +
j(j + 1) + s(s + 1) l(l + 1)
2j(j + 1)
(6.29)
2. where g is the Lande factor. In order to get < s
z
>the identity [J
2
[J
2
, s]] = 2 (J
2
s +sJ
2
)
4 (s J) J and (and alternative calculation can be done by using the WignerEckart theo
rem, as well as the ChlebshGordan coecients)
< s
z
>=
m
2j(j + 1)
[j(j + 1) + s(s + 1) l(l + 1)] (6.30)
3. Fig. 7 shows the resulting spectra in this case for the n = 2 n = 1 in a hydrogenic
atom.
4. Notice the complexity of the resulting spectra
5. and how spin is needed to understand it. Historically when this eect was analyzed
theoretically spin was not known and no explanation was obtained, therefore the name
Anomalous Zeeman eect.
6.2.2 PaschenBack eect
It is obtained when the magnetic eld is no as strong as in the former case and the Fine structure
begins to be important (see Fig. 8). The Lorentz triplet begins to suer an additional splittins.
208 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
6.2.3 Stark eect
1. It was discovered by J. Stark and A. Lo Surdo in 1913 (Bransden 219).
2. In this case the atom is in presence of an external electric eld E and the Hamiltonian is
H
= eE x (6.31)
3. The eect is called strong if the splitting produced is larger than the Fine Structure
(eE >> 10
5
eV/a
0
0.1 MeV/m).
This is the typical case given than usual elds are of the order eE 10 MeV/m.
4. On the contrary the eect is weak if the electrical eld is eE << 0.1 MeV/m
5. For the Strong Electric eld, where Fine Structure is negligible
E
nlm
= eE < nlm[z[nl
>= (1)
l+l
> (6.32)
and vanish for l + l
.
6. In the case of the level n = 2 for hydrogenic atoms the matrix (for the degenerate states
2s and 2p0, 2p1 and 2p 1)
H
= eE
_
_
_
_
0 H
12
0 0
H
12
0 0 0
0 0 0 0
0 0 0 0
_
_
_
_
(6.33)
has to be diagonalized.
(a) The matrix element H
12
= eE < 2s[z[2p0 >= eE
_
2s
z
2p0
d
3
x = 3eEa
0
/Z.
(b) The eigenvalue equation is (E)
2
((E)
2
H
2
12
) = 0,
(c) and the solutions are: two degenerate states with E = 0 and two with energy shifts
E = H
12
:
(d) The two states with m = 0 become mixed and shifted. See Fig. 9
E = 0,
2p,m1
E = 3eEa
0
/Z,
= (
2
s
2p0
)/
2 (6.34)
6.3. SEVERAL ELECTRONS ATOMS 209
7. Notice that parity and L
2
are not conserved anymore as they do not commute with H
.
8. The zcomponent of the angular momenta is still conserved because the system is sym
metric under rotations around the zaxis, the electric eld.
9. An interesting eect due to Stark eect is the dramatic change of the 2s lifetime :
(a) normally, in the vacuum its lifetime is
2s
(1/7) sec. (> 420 sec)!.
(b) However if an external electric eld is present the lifetime change to a typical atomic
valued of 1.3 10
12
sec.! (for a eld of eE 10 MeV/m).
(c) The change is due to the fact than the new eld introduces a mixing of the 2s state
with the 2p0 one.
(d) The second one is allowed to decay normally (in the electric dipole approximation,
to be addressed in the next chapter) to the ground state 1s, while the 2s is not.
10. Given that in many case the predicted correction vanish at rst order it is important to
go to next order. For the case of 1s, for example one has (Bransden ?)
E
(2)
1s
= (eE)
2
n=1,lm
[ < nlm[z[1s > [
2
E
(0)
1
E
(0)
n
= 2(4
0
)
a
3
0
Z
4
E
2
(6.35)
11. as we can see the eect is very small and depends of the square of the electric eld this
is why is called the Quadratic Stark eect.
12. Finally let us mention another eect due to the presence of an external electric eld: it
is the atomic ionization predicted by J. Oppenheimer in 1928.
13. As it is shown in the g. the nuclear coulombic eld is modied by the presence of the
external electric eld.
14. The resulting potential energy shows a bag around the nucleus but as one can see the
conned electron can scape by penetrating the barrier, the tunnel eect. Thus the atom
become ionized.
6.3 Several electrons atoms
6.3.1 Helium
In this case the Hamiltonian is
H =
1
2m
_
2
1
+
2
2
_
Z
_
1
r
1
+
1
r
2
_
+
[r
1
r
2
[
(6.36)
210 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
One can estimate the energy of the ground state, by neglecting the electrostatic repulsion. in
this case the two electrons can be accommodated in the hydrogenlike 1s state: 1s1s = (1s)
2
and
E
0
= 2(m/2)(Z/1)
2
= m(Z)
2
= 108.8 eV. Taking into account the electrostatic repul
sion, perturbatively it is obtained that
E
0
= m(Z)
2
+
_
d
3
x
1
d
3
x
2
[
1s
[
2
[r
1
r
2
[
= m(Z)
2
+
5Z
8
m
2
= Z
_
Z
5
8
_
m
2
= 74.8 eV (6.37)
It can, still improved by using the variational principle like in exercise 55 of the former
chapter. A simple physical choice is the wavefunction
(r
1
, r
2
) =
(mZ
)
3
e
mZ
(r
1
+r
2
)
(6.38)
been Z
)
2
2ZZ
+
5
8
Z
_
= m
2
_
Z
5
16
_
2
= 77.5 eV (6.39)
where Z
= Z 5/16 < Z was obtained from the minimization of the energy. The experi
mental value is E
exp.
0
= 78.975 eV, so the discrepancy is around 2%. The ionization energy,
the energy needed to remove one electron can be obtained to be E
ion.
0
= m(Z)
2
/2 E
0
=
54.4 (78.975) = 24.6 eV.
More elaborate methods produce high precision results like the ionization energy, compared
with the experimental result
I
theo.
= 198 310.699 (50) cm
1
, I
exp.
= 198 310.82 (15) cm
1
(6.40)
Z E
nopert.
E
pert.
E
vari.
E
accu.
I
theo.
I
exp.
1 H
para
lm
l
=
1
2
[
1s
(r
1
)
2l
(r
2
) +
1s
(r
2
)
2l
(r
1
)]
00
ortho
lm
l
ms
=
1
2
[
1s
(r
1
)
2l
(r
2
)
1s
(r
2
)
2l
(r
1
)]
1ms
(6.41)
for parahelium (singlet, S = s
1
+ s
2
= 0) and orthohelium (triplet, S = 1). Taking the
electrostatic energy as a perturbation one has to diagonalize a 4 4 matriz and a 12 12 for
parahelium and orthohelium, respectively:
E =
_
d
3
r
1
d
3
r
2
r
12
[
1s
(r
1
)[
2
[
2l
(r
2
)[
2
_
d
3
r
1
d
3
r
2
r
12
1s
(r
1
)
2l
(r
2
)
1s
(r
2
)
2l
(r
1
) (6.42)
for the singlet and the triplet, respectively. It is found that the 1s2p state is above the 1s2s
one. See Eisbeg and Fl ugge II 61.
Lithium is treated in Fl ugge II 69.
6.3.2 Several electrons atoms
The Hamiltonian in this case is (the CM motian is taken into account in Bransden and Park):
H =
N
i=1
_
1
2m
2
i
Z
r
_
+
N
i>j
r
ij
(6.43)
6.3.3 General Considerations
Pauli Exclusions Principle, Slaters determinant
Softer version: Only one electron can be in each state Stronger version: The electronic wave
function has to be totally antisymetric under the interchange of any pair of electrons. Symmetric
and antisymmetric wavefunction for N particles:
S
(1, 2, , N) =
1
N!
(1)
(2)
(N) (6.44)
For the symmetric case. The numbers 1,2,3, etc are the generic coordinates of the particles
1,2,3, etc. The letters are the quantum numbers needed to characterize the corresponding
states.
P
means sum over all the permutations of two electrons. For the antisymmetric case
one has the Slater determinant
212 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
A
(1, 2, , N) =
1
N!
(1)
(2)
(N)
(1)
(2)
(N)
.
.
.
.
.
.
.
.
.
.
.
.
(1)
(2)
(N)
(6.45)
For example for the case of two electrons one obtains
A
(r
1
, r
2
) =
1
2
[
(r
1
)
(r
2
)
(r
2
)
(r
1
)] triplet
S
(r
1
, r
2
) =
1
2
[
(r
1
)
(r
2
) +
(r
2
)
(r
1
)] singlet (6.46)
One has to remember that the wavefunction of Bosons (those with integer spin, like photons,
pions, etc.) has to be symmetric while it has to be antisymmetric for fermions (those with semi
integer spin), like electrons, protons, etc. In particular for our case here the total wavefunction
of the electrons has to be antisymmetric. One has to remember that the total wavefunction
has to take into account the spin of the electron, so
(1) = (r
1
, t)(s
1
) (6.47)
Exchange Forces
Lets consider the case of two electrons: one has a triplet with spin one and a singlet with spin
zero. In the rst case the spin wavefunction is symmetric, while in the second is antisymmetric.
Due to the fact that the total electrons wavefunction must be antisymmetric one sees that in
the rst case the space wavefunction has to be antisymmetric and for the second it has to be
symmetric from eq. (6.46):
Now one see that for the triplet case if r
1
r
2
then
A
(r
1
, r
2
) 0 and the probability of have
the two electrons close to each other is almost zero like if there would be a repulsion force (the
interchange force). In this case the contribution to the energy due to the electrostatic repulsion
between them is low. For the singlet case if r
1
r
2
then
A
(r
1
, r
2
)
(r
1
)
(r
1
) ,= 0, so
this conguration is energetically favored and the interchange force is attractive. See g. 97
of Eisberg, about the importance of the Exchange forces
6.3.4 Central Potentials, Self Consistent Aproaches
The hamiltonian for this case is (neglecting electron spins, etc.)
6.3. SEVERAL ELECTRONS ATOMS 213
H =
N
i=1
_
1
2m
2
i
Z
r
i
_
+
N
i>j
r
ij
+
N
i=1
V
c
(r
i
)
N
i=1
V
c
(r
i
) = H
c
+ H
I
H
c
=
N
i=1
_
1
2m
2
i
+ V
c
(r
i
)
_
, H
I
=
N
i>j
r
ij
i
_
Z
r
i
+ V
c
(r
i
)
_
(6.48)
Where the term corresponding to the central potential has been added. The idea is to
choose this potential as some kind of average one, acting on one electron due to the presence of
the rest of the electrons. Thus one solve the rst hamiltonian, for one electron!. Once have the
energy levels ll the states in ascending order, taking the electrons as free ones (no interaction).
The method can be improved by taking H
I
as a perturbation (small one) and correcting the
former energies. The point is how to chose the central potential. Two possibilities are given
below
ThomasFermi
It was proposed the Thomas and Fermi in 1928 and it should work in the case of large atomic
numbers. The total number of electrons is (taking into account the spin of the electron) at
T = 0
N =
_
E
f
0
2N(E)dE =
(2mE
f
)
3/2
V
3
2
with N(E)dE =
(2m)
3/2
V
2
2
E
1/2
dE (6.49)
so E
f
= (2
2
N/V )
2/3
/2m. Now E
f
= V (r) (all levels lled?, Virial, Bransden AM 313)
so
N/V =
(2mV (r))
3/2
3
2
(6.50)
Selfconsistency means that Gauss Law has to be satised:
2
= /
0
(6.51)
where V (r) = e and = eN/V . So (r) has to satisfy the equation (selfconsistency)
1
r
d
2
dr
2
rV (r) =
4
3
[2mV (r)]
3/2
(6.52)
Redening r bx, b = (3)
2/3
/2
7/3
mZ
1/3
= 0.8853/mZ
1/3
and V = Z (r)/r one
has
214 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
d
2
(r)
dx
2
=
1
x
1/2
3/2
(6.53)
with the boundary conditions
V (r)
_
Z/r for r 0
(Z N + 1)/r for r
(r)
_
1 for x 0
(Z N)/Z + 1/Z 0 for x
(6.54)
Having one has V to solve the Schrodinger equation. Once the energy eigenvalues are
obtains the electrons can be placed in such way that the Paulis exclusion principle is obeyed.
It is noticeable that it works also for atoms with small atomic number
HartreeFock
Initially developed by Douglas and Hartree in 1928, however the rst computer calculation was
done by the rst time by Herman and Skillman in the 60s. The idea is that each electron moves
under the inuence of a central potential V (r) produced by the nuclei and the average motion
of the other electrons, that has to satisfy asymptotic conditions given in eq. (6.54). On can nd
an initial guess for the potential satisfying asymptotic conditions. Then solve the Schrodinger
Equation for one electron to nd the wavefunction and the charge density = e[[
2
and from
it the electric potential , by solving the Poisson eq. (6.51) (Eisberg, Limusa).
(r) = (r
k
) =
1
4r
2
_
d
i=k
[
i
(r)[
2
(6.55)
Given that the potential is related to the electric potential by V = e one have the new
potential to solve the Schr odinger equation and make the following iteration. This procedure is
continued until the potential, wavefunction, etc do not change anymore, that is the Schr odinger
and Poisson equations are selfconsistent.
The energy levels obtained are ordered like
1s, 2s, 2p, 3s, 3p, [4s, 3d], 4p, [5s, 5d], 5p, [6s, 4f, 5d], (6.56)
where the order of the levels in squared parenthesis may change.
6.3.5 Periodic Table
The electronic conguration. For hydrogen
1
H: 1s
1
, for helium
2
He: 1s
2
, for Lithium
3
Li: 1s
1
2s
1
and for Beryllium
4
Be: 1s
2
2s
2
. see Fig. 9.14 Eisberg.
6.4. MOLECULES 215
6.3.6 LS and JJ couplings
When Fine Structure is important one has to correct the hamiltonian like
H H + H
so
, H
so
=
1
2m
2
N
i=1
1
r
i
dV (r
i
)
dr
i
L S (6.57)
If [H
1
[ >> [H
2
[ (like for small and intermediate values of Z) one has to use the so called LS
coupling case, while for [H
1
[ << [H
2
[ (like for large values of Z) one has to use the so called
JJ coupling case. When they are comparble is the intermediate case.
6.3.7 X rays
6.3.8 External Fields
Stark and Zeeman eects.
6.4 Molecules
6.4.1 BornOppenheimer
Hydrogen molecule, Morse Potential
6.4.2 Electronic Spectra
6.4.3 Rotovibrational spectra
Raman Spectra
6.4.4 Van der Walls forces
216 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
6.5 Exercises on Atomic Physics
6.5.1 Reduced Mass
6.5.2 General, Breit Fermi
1. For the case m
2
> m
1
[njm
j
, lj
1
s
1
s
2
> obtain [H, L
2
], [H, J
2
1
], [H, J], [J, f(r)] = 0 for
J
1
= L +s
1
. One has the operators L s
1
, L s
2
, s
1
s
2
, s
1
xs
2
x
One has for L:
[L
i
, x
j
] = i
ijk
x
k
, [L
i
, p
j
] = i
ijk
p
k
, [L
i
, x
2
] = [L
i
, p
2
] = [L
i
, f(r)] = [L
i
, f([p[)] = 0 (6.58)
[L
i
, L s
1, 2
] = i
ijk
L
j
(s
1, 2
)
k
, [L
i
, s
1
s
2
] = 0, [L
i
, x s
1
x s
2
] = i
ijk
[x s
1
(s
2
)
j
+x s
2
(s
1
)
j
] x
k
For L
2
[L
2
, L s
1, 2
] = [L
2
, s
1
s
2
] = [L
2
, x
2
] = 0,
[L
2
, x
a
x
b
] = 2i [
iak
x
b
+
ibk
x
a
] x
k
L
i
+ 6x
a
x
b
2
ab
x
2
(6.59)
For s
1
:
[s
1i
, L s
1
] = i
ijk
L
j
s
1k
, [s
1i
, L s
2
] = 0, [s
1i
, s
1
s
2
] = i
ijk
s
2j
s
1k
[s
1i
, x s
1
x s
2
] = i
ijk
x
j
s
1k
x s
2
(6.60)
For J
1
[J
1i
, L s
1
] = 0, [J
1i
, L s
2
] = i
ijk
L
k
s
2j
, [J
1i
, s
1
s
2
] = i
ijk
s
1k
s
2j
[J
1i
, x s
1
x s
2
] = i
ijk
x s
1
s
2j
x
k
(6.61)
For J
2
1
[J
2
1
, L s
1
] = 0, [J
2
1
, L s
2
] = 2i
ijk
s
1i
s
2j
L
k
, [J
2
1
, s
1
s
2
] = 2i
ijk
L
i
s
1k
s
2j
[J
2
1
, x s
1
x s
2
] = 2i
ijk
x s
1
s
2j
x
k
J
1i
+ 2x s
1
x s
2
(6.62)
and nally J = L +s
1
+s
2
, and J
2
commute with all four operators.
2. For the case m
2
= m
1
obtain [H, L
2
], [H, S
2
], [H, J]. The operators L S, s
1
s
2
and T.
[njm
j
, lss
1
s
2
>
6.5. EXERCISES ON ATOMIC PHYSICS 217
3. V
i
is called a vector with respect to J operator if it satised the commutation relations
V
i
, [J
i
, V
j
] = i
ijk
V
k
. Show that for any vector operator (Bransden AM 216)
(a) [J
2
, V
i
] = 2V
i
+ 2i
ijk
V
j
J
k
[J
2
, V
i
] = i
jik
(J
j
V
k
+ V
k
J
j
) = i
jik
(2V
k
J
j
+ i
jkl
V
l
) = 2V
i
+ 2i
ijk
V
j
J
k
(6.63)
(b) [J
2
, [J
2
, V
i
]] = 2 (J
2
V
i
+ V
i
J
2
) 4J
i
V J,
[J
2
, [J
2
, V
i
]] = 2
_
J
2
, V
i
+ 2i
ijk
_
J
2
, V
j
J
k
= 2
_
J
2
, V
i
+ 4i
ijk
V
j
J
k
+ 4
_
V
i
J
2
V
k
J
i
J
k
_
= 2
_
J
2
, V
i
_
+ 4 (i
ijk
V
j
V
k
J
i
) J
k
= 2
_
J
2
, V
i
_
4J
i
(V J) (6.64)
(c) < V >= (V J) J) /j(j + 1) and
(d) Show the last relation by using the WignerEckart theorem.
4. Show that a) x, b) p c) L, d) s and e) (s x) x are vector with respect to J = L +s
a) [L
i
, x
j
] = [J
i
, x
j
] = i
ijk
x
k
b) [L
i
, p
j
] = i
ijk
p
k
c) [J
i
, L
j
] = [L
i
+ s
i
, L
j
] = [L
i
, L
j
] = i
ijk
L
k
d) [J
i
, s
j
] = [L
i
+ s
i
, s
j
] = [s
i
, s
j
] = i
ijk
s
k
e) [J
i
, (s x) x
j
] = [L
i
+ s
i
, (s x) x
j
] = [L
i
, (s x) x
j
] + [s
i
, (s r) x
j
]
= (s r) [L
i
, x
j
] + s
l
[L
i
, x
l
]x
j
+ [s
i
, s
l
]x
l
x
j
= (s r) i
ijk
x
k
+ s
l
i
ilk
x
k
x
j
+ i
ilk
s
k
x
l
x
j
= i
ijk
(s r) x
k
+ i
ikl
s
k
x
l
x
j
+ i
ilk
s
k
x
l
x
j
= i
ijk
(s r) x
k
(6.65)
5. For G = L s + 3s rr/r
2
and J = L +s show that
(a) is a vectorial operator: it satised [J
i
, G
j
] = i
ijk
G
k
Given the former item and the linearity of the commutator it is clear G is an operator
(b) Show that G
J = s L for G
= s 3 (r s) s and J = L +s
A: One has that
G
J = s
2
3 (r s)
2
+s L 3 (s r) r L = s L (6.66)
Given that for a spin s = 1/2 particles s
2
= 3 (r s)
2
, for the properties of the Pauli
matrices and r L = 0 for the denition of L .
218 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
6. Obtain < lm[ r
i
r
j
[l
>= a(L
i
L
j
+ L
j
L
i
)
mm
+ b
ij
mm
. Given that a) r
i
r
i
= 1, b) r
i
L
j
= 0
and c) the conmutation relations for L one obtains a and b, so
< lm[ r
i
r
j
[l
>=
1
4L
2
3
_
(L
i
L
j
+ L
j
L
i
)
mm
(2L
2
1)
ij
mm
(6.67)
7. Obtain < lm[6 [ r
i
r
j
ij
/3] s
i
1
s
j
2
[l
ij
/3] s
i
1
s
j
2
=
[ r
i
r
j
ij
/3] s
i
s
j
/2. Thus, using the commutation relations for s and L (BS 348, 109)
< lm[6 [ r
i
r
j
ij
/3] s
i
1
s
j
2
[l
>=
1
4L
2
3
_
6 < L S >
2
+3 < L S > 2L
2
S
2
(6.68)
6.5.3 Fine Structure
8. Is it possible to have the Fine structure for multielectron atoms?, why?, for positronium?
9. problem 410, Eisberg and Resnick, p. 117.
10. Historically, was the spin hypothesist necessary to explain the Fine Structure?
A: No, Sommerfeld did it in 1919 without involving spin.
11. Obtain the term H
1
, corresponding to the relativistic kinetic energy is two particles
A:
K =
_
m
2
+ p
2
m =
p
2
2m
p
4
8m
3
+ (6.69)
and one obtains H
1
for two particles.
12. Show the H
2
is diagonal, in the base [J, m
J
; l, s >.
13. Obtain the hamiltonian for the Spinorbit interaction H
2
= (Z/2m
2
)L s/r
3
. What is
the physics behind the Spinorbit interaction?
14. Expand the Dirac formula for the energy states to obtain the nonrelativistic formula.
15. Work out the transition from n = 2 to n = 1: spectra and widths, for the case of Fine
structure.
6.5. EXERCISES ON ATOMIC PHYSICS 219
16. Find the energy change in the hydrogenoic atom levels due to the Darwins tem:
H
=
Z
2m
2
(3)
(r)
Sketch the new levels.
17. Find the energetic and optical spectra for the lines n = 2 and n = 1, for the Fine
Structure. Workout the numerical values for hydrogen and for Z = 92.
A:
E
nj
E
n
=
_
Z
n
_
2
_
3
4
n
j + 1/2
_
(6.70)
and E
nj
/E
n
= 1.3 10
5
for hydrogen and E
nj
/E
n
= 0.11 for U
92
.
18. What happens to the lines H
and H
2
(Z)
2
n
k(n, l) (6.72)
and for the ground state (n = 1, l = 0) E
nj
/E
n
= 2.5 10
6
for hydrogen and
E
nj
/E
n
= 0.02 for U
92
.
220 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
21. For positronium nd the energetic and optical spectra in the approximations: a) Schr odinger,
b) Fine structure, c) LambRetherford.
22. About the LambRetherford Schi nd its: history, the physics, size, etc. Is it possible
to have the LambRetherford swift for multielectron atoms?, why?, for positronium?
6.5.5 Hyperne structure
23. Obtain the hyperne lagrangian, taking into account the magnetic eld produced by the
nuclear magnetic momenta and its interaction with the orbital momenta and with the
electron magnetic momenta
A: A magnetic dipole momenta produces the vectorial and a magnetic eld (obtained
with the help of the last two identities)
A =
0
4
_
1
r
_
=
0
4
N
r
r
3
B = A =
0
4r
3
_
3
(
N
r)r
r
2
N
_
+
0
(3)
(r)
(A B) = ( B) A( A) B+ (B ) A(A ) B
j
1
r
=
_
1
r
3
+
4
3
(3)
(r)
_
ij
+
3r
i
r
j
r
5
(6.73)
There are two contributions to the energy (see Fig. 3): the nuclear spinorbit and the
spinspin
H
h.f.
= H
sl
+ H
ss
=
ie
m
A
e
B
=
g
N
2m
e
m
p
_
L s
N
r
3
1
r
3
[s
N
s
e
3(s
N
r)(s
e
r)] +
8
3
s
N
s
e
(3)
(r)
_
(6.74)
the hyperne hamiltonian used before.
24. Obtain the hyperne energy correction for l = 0
A: Since the electron has no orbital angular momentum, there is no nuclear spinorbit
eect. It can be shown that because the wavefunction has spherical symmetry, only the
delta function term contributes from the spinspin Hamiltonian. First order perturbation
theory yields
E
l=0
hf
=
4g
p
3mm
p
(s
N
s
e
) [(r = 0)[
2
=
4g
N
m
e
3m
p
E
n
Z
2
n
_
f(f + 1)
3
2
_
(6.75)
6.5. EXERCISES ON ATOMIC PHYSICS 221
where s
N
s
e
was obtained from F
2
= s
2
e
+s
2
N
+ 2s
N
s
e
.
25. What is the physical meaning of the hyperne structure?
26. Sketch what happens for the energetic spectra for the level n = 2 when the experimental
resolution increases to measure: the ne structure, the LambRetherford, the Lamb
Retherford and the hyperne structure.
27. Find the frequency emitted when positronium makes the transition between the rst two
energy levels, considering the hyperne structure.
28. Find the frequency emitted when hydrogen makes the transition between the rst two
energy levels, considering the hyperne structure.
29. Find the frequency emitted when U91 (Uranium atoms with only one electron!) makes
the transition between the rst two energy levels, considering the hyperne structure.
30. Obtain the energy levels and the wavefunctions for a hydrogenic nuclei with s
N
= 1 at
the level n = 1.
31. Obtain the energy levels and the wavefunctions for the ground state for a hydrogenic
nuclei with s
N
= 1/2, Z = 92, A = 238, g
I
= 2.
A:
E
nj
E
n
=
g
N
m
e
2m
p
Z
2
n
f(f + 1) s
N
(s
N
+ 1) j(j + 1)
j(j + 1)(l + 1/2)
= 2g
N
(m
e
/m
N
)Z
2
(6.76)
and E
nj
/E
n
= 1.110
7
for hydrogen and E
nj
/E
n
= 410
8
for U
92
. And
theo.
= 1391
hz and
exp.
= 1420 hz
6.5.6 Zeeman and Stark eects
32. Show that < s
z
>= m[j(j +1) +s(s +1) l(l +1)]/2j(j +1) by using the WignerEckart
theorem and the ClebshGordan coecients.
A:
< s
z
> = < jm
j
, ls[s
z
[jm
j
, ls >=
m
l
ms
C
jm
j
lm
l
,sms
2
m
s
=
m
j
2l + 1
=
j(j + 1) l(l + 1) s(s + 1)
2j(j + 1)
m
j
[jm
j
, ls > =
m
l
ms
C
jm
j
lm
l
,sms
[lm
l
> [sm
s
> (6.77)
for j = l 1/2 and given that
222 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
C
l+1/2,m
j
lm
l
,1/2 1/2
=
_
l m
j
+ 1/2
2l + 1
_
1/2
, C
l1/2,m
j
lm
l
,1/2 1/2
=
_
l m
j
+ 1/2
2l + 1
_
1/2
(6.78)
33. What happens to the line H
and H
= 0 (6.79)
6.5. EXERCISES ON ATOMIC PHYSICS 223
44. Is it possible to ionize an atom by exposing it to a electric (gravitational) eld?
A: Yes, due to the tunnel eect.
45. Briey, what is the HartreeFock approximation?.
224 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
Bibliography
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T. Gallagher, Rydberg atoms, Cambridge 2005.
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2
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.
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.
Chapter 7
Radiation
7.1 Semiclassical radiation theory
The Semiclassical theory of radiation was introduced immediately the formulation of QM
around 1926. In this formalism particles are quantized although nonrelativistic while EM elds
are classical. Classical Fields can be obtained from the potentials (scalar and vector ones):
E =
t
A, B = A (7.1)
A monochromatic wave can be described as
A = A
0
cos(k x t), E = A
0
sin(k x t)), B = A
0
k sin(k x t) (7.2)
with = 0, A = 0 so k = 0 (in the gauge of Coulomb, radiation or transverse). For
this case the energy density and the energy ux, or the Poynting vector are
< u >=
0
2
_
< E
2
> + < B
2
>
_
=
0
2
2
A
2
0
= n
< S >=
0
< E B >, [ < S > [ =
0
2
2
A
2
0
= n (7.3)
with n the space photon density.
Particles are treated by the SE and the interaction withe the radiation can be taken into
account by the so called minimal substitution or gauge invariance:
H =
1
2m
(p eA)
2
+ e =
1
2m
_
p
2
+ e
2
A
2
ep AeA p + e
_
= H
0
e
m
A p
H
=
e
m
A p +
p
2
2m
e
m
A p (7.4)
229
230 CHAPTER 7. RADIATION
where the Coulomb gauge was chosen, H
0
= p
2
/2m + e, the quadratic term was assumed
to be negligible for normal elds. The interaction in then characterized by H
. Given an atomic
system interacting with radiation the wavefunction is, according to the time perturbation theory
(t) =
n
a
n
(t)e
iEnt
(0)
(t), i a
n
=
k
H
nk
e
i
nk
t
a
k
H
nk
= < n[H
[k >=
eA
0
m
< n[ cos (k x t) p[k > (7.5)
7.1.1 Multipolar expansion, Electric and magnetic dipole approxi
mations
The spatial dependence inside the expecting value, can be expanded in terms of the ratio a
B
/
for radiation even in the ultraviolet range. For example for the optical range ( = 40007000
A)
and a
B
/ = 4.5 7.8 10
4
. The expansion is
e
kx
= 1 + ik x +
1
2!
(ik x)
2
+ (7.6)
and replacing in eq. (7.5) the terms cof the expansion correspond to electric dipole, magnetic
dipole, quadrupole, etc. At rst order, in the electric dipole approximation
H
nk
=
eA
0
m
cos(t) < n[ p[k >= ieA
0
cos(t) < n[ [H
0
, x][k >= ieA
0
nk
cos(t) x
nk
(7.7)
where the relation p = im[H
0
, x] = im[p
2
/2m+V, x] was used and
nk
= E
n
E
k
. Thus
the equations to be solved are
a
n
= eA
0
cos (t)
nk
x
nk
a
k
(7.8)
Now one can take the two state approximation, given that only the frecuency close to
nk
gets exited, while the other proper frecuencies do not participate. In this approximation
a
a
= c cos (t) e
i
0
t
a
b
c cos (t) e
i
0
t
a
(0)
b
a
b
= c cos (t) e
i
0
t
a
a
c cos (t) e
i
0
t
a
(0)
a
(7.9)
7.1.2 Absorsion of Radiation
In this case the initial conditios are
7.1. SEMICLASSICAL RADIATION THEORY 231
a
(0)
b
(T) = 0, a
(0)
a
(T) = 1
a
(0)
b
(t) =
c
2
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt (7.10)
with c = eA
0
0
x
nk
and the probalility for the transition from a to b is
P(a b) = [a
(0)
b
(t)[
2
=
[c[
2
4
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt
[c[
2
4
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt
[c[
2
4
[2(
0
) + 0]
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt
[c[
2
2
(
0
)
__
t
T
dt +
_
t
T
e
2i
0
t
dt
_
[c[
2
2
(
0
)(t + T)
R(a b)
P(a b)
t + T
=
[c[
2
2
(
0
) = 4
2
u[ x
nk
[
2
(
0
) (7.11)
the ratio of absortion: the probability of transition by unit of time, for a given frecuency
and polarization. Notice the diracs delta mantaining the energy conservation. Given that not
all frecuencies are absorved
R = 4
2
u[ x
nk
[
2
(
0
) = 4
2
I()[ x
nk
[
2
(
0
)
R = 4
2
_
dI()[ x
nk
[
2
(
0
)d = 4
2
I(
0
)[ x
nk
[
2
(7.12)
where the incident ux I = u/. The absortion dierential cross section
d =
R
I
d
4
,
d
d
= [ x
nk
[
2
= [x
nk
[
2
_
1
1
1
2
_
sin
2
+ 0
2d cos =
4
2
3
[x
nk
[
2
(7.13)
for totally unpolaraized light
7.1.3 Estimulated emision
Now the initial conditios are
a
(0)
b
(T) = 1, a
(0)
a
(T) = 0
a
(0)
a
(t) =
c
2
_
t
T
_
e
it
+ e
it
_
e
i
0
t
dt (7.14)
232 CHAPTER 7. RADIATION
sot the result is the same, interchanging the initial and nal states. The result is the same
and one obtain the Detailed balance principle (also abtained fron Time reversal symmety):
R(b a) = R(a b) (7.15)
for each pair of initial and nal states
7.1.4 Spontaneous emision
In this case emision is possible even in the absense of external elds. As we have seen, according
to the semiclassical theory of radiation.
R(a b) R
ind.
(b a) = 4
2
u[ x
nk
[
2
(
0
) (7.16)
As we can see spontaneous emision is not possible!. In the Quantum Field Theory (QFT)
one has to reinterpret the energy density as u = n = (N/V ): the numeber of photons of
energy in a given volume V . The result in this case is [?]
R
abs.
(a b) = 4
2
N
V
ba
[ x
ba
[
2
(
0
)
R
emi.
(b a) = 4
2
N + 1
V
ba
[ x
ba
[
2
(
0
) (7.17)
where in the second case estimulated and spontaneous cases are included, thus QFT solves
this problem. For spontaneous mition no photons sorround the atom and N = 0. In order
to obtain the total rate of transition we have to sum over the possible nal states: d
3
n =
V d
3
k/(2)
3
, where k is the photon momenta:
d
spo.
= R
spo.
d
3
n = 4
2
V
ba
[ x
ba
[
2
(
0
)d
3
n = 4
2
V
ba
[ x
ba
[
2
(
0
)
V d d
(2)
3
d
spo.
d
=
2
3
ba
[ x
ba
[
2
,
spo.
=
4
3
3
ba
[x
ba
[
2
,
spo.
=
1
g
b
a, b
(b a) (7.18)
the angular distribution for a given photon polarization, initial (nal) state b (a). The second
equation is obtained by integrating over all the possible directions and adding the two possible
polarizations of the emitted photon. The last one by averaging over the g
b
(the degeneracy of
this level) initial states b and adding over the possible nal ones. Finally the lifetime of a given
state is = 1/ (adding over all possible nal states), given that
N = N (N is the number
of exited atoms at time t) and
N = N
0
e
t
(7.19)
7.1. SEMICLASSICAL RADIATION THEORY 233
7.1.5 Black body radiation
7.1.6 Selection rules
Electric dipole selection rules are l = 1, J = 0, 1 and the transition J = 0 J
= 0 is
forbidden BetheSalpeter 271. m
s
= 0, m
l
= 0, 1, m
J
= 0, 1
The magnetic dipole selection rules are: l = 0, J = 0, 1, except the transition from
J = 0 to J
= 0) and m = 0, 1, 2.
7.1.7 Halflife and line width. Photoelectric eect
234 CHAPTER 7. RADIATION
7.2 Radiation exercises
1. Show that the Semiclassical Theory of Radiation is a Gauge Theory: it is invariant under
the transformation, for all function (x, t)
exp[i(x)], qA
qA
(7.20)
2. For a diatomic molecule bounded by a potential, that can be approximated by a 1D
harmonic oscilator compute the lifetime of the rst exited state, with = 10
13
seg
1
.
3. What is the prediction of the Semiclassical Theory of Radiation for the Spontaneous
emition.
4. What is the electric dipole approxiamtion?, why is it valid?
5. Is it the electric dipole approximation valid for microwaves?
6. For what wavelenghts is the electric dipole approximation valid?
7. Show that spontaneous emition radiation formula (eq. (7.18))agrees with Larmor formula
(for a given electric dipole momenta)
A: Larmor formula for radiated power, by a electric dipole driven a frecuency is
P =
1
3
4
d
2
4
0
=
4
3
4
e
2
4
0
=
4
3
4
x
2
= (7.21)
8. Complete the Grotrian diagram for a) an spherical innite well, b) the isotropic harmonic
oscilator, c) positronium and a system whose states are ordered as: 1
1
s
0
, 1
3
s
1
, 2
1
s
0
, 2
3
p
0
,
2
1
p
1
, 2
3
p
1
, 2
3
p
2
, 2
3
s
1
.
9. Is it or not possible the transition 5d 1s?, why?.
10. Why the two states approximation is valid?
11. Show that (2s 1s) = 0
12. Compute the lifetime of each of the sublevels of the state n = 2 of a hydrogenic atom.
A: In the dipole appoximation only the transitions 2p 1s are allowed with
d
spo.
d
=
2
3
ba
[ x
ba
[
2
,
spo.
=
4
3
3
ba
[x
ba
[
2
,
spo.
=
1
g
b
a, b
(b a) (7.22)
Thus one has to obtain the expectation values for the two states
7.2. RADIATION EXERCISES 235
< 2p, m = 1[r[1s > =
b
6
(1, i, 0), < 2p, m = 0[r[1s >=
b
3
(0, 0, 1)
b =
_
0
drr
3
R
21
R
10
=
4!
6
_
2
3
_
5
a (7.23)
and
m = 1,
1
:
d
d
=
2
3
ba
b
2
6
cos , =
1
9
3
ba
b
2
m = 1,
2
:
d
d
=
2
3
ba
b
2
6
, =
3
3
ba
b
2
m = 0,
1
:
d
d
=
2
3
ba
b
2
3
sin , =
4
9
3
ba
b
2
m = 0,
2
:
d
d
= 0, = 0 (7.24)
if the atoms are initially polarized and nal photon polarization is measured
13. Compute the lifetime of the level n = 2, assuming no initial polarization.
14. Compute the lifetime of the level n = 2, if the atom is initially in the states 2s, 2p1, 2p1
y 2p0 with probabilities 0.5, 0, 0.3 y 0.2, respectively.
15. Compute the angular distribution of the radiation when the atom goes from the state
[2p, m = 1 > to the ground state, for each photon polarization.
16. For the transition 3s 2p obtain d/d and for all the posibilities.
236 CHAPTER 7. RADIATION
Bibliography
7.3 Semiclassical theory of Radiation references
[1] W. Heitler, The Quantum Theory of Radiation (3th Ed.), Dover 1984.
J. Sakurai, Advanced Quantum Mechanics. AddisonWesley 1967.
J. Sobelman, Atomic Spectra and radiative transitions, SpringerVerlag 1992.
J. Morcillo y J. Orza, Especstroscopia, Alhambra 1972.
[2] AharonovBohm eect.
Y. Aharonov and D. Bohm, Phys. Rev. 115, 485 (1959)
R. Chambers, Phys. Rev. Lett. 5, 31 (1960).
A. Tonomura, et al., Phys. Rev. Lett. 48, 1443 (1982).
Neutrons cannot encircle lines of electric charge unphased, Phys. Tod. Jan.90, 17 (1990).
[3] Quantum Optics
R. Glauber, The Quantum Theory of Optical Coherence, Phys. Rev. 130, 2529 (1963).
Nobel 2005
M. Scully and M. Suhail Zubairy, Quantum Optics, Cambridge 1997.
C. Gerry and P. Knight, Introductory Quantum Optics, Cambridge 2004.
V. Vedral, Modern Foundations Of Quantum Optics, Imperial College 2005.
P. Kwiat, H. Weinfurter and A. Zeilinger, Quantum seen in the dark, Sci. Amer. nov.96,
52 (1996).
B. Scharzchild, Optical frequency measuring is getting a lot more precise, Phys. Tod. Dec.
97, 19 (1997).
Nobel prize recognizes optics researchers, 4 Oct. 2005, Physicsweb News.
N. Bloembergen, Physical review records the birth of the lase era, Phys. Tod. oct.93, 28.
C. Townes, How the Laser Happened: Adventures of a Scientist, Oxford 2002.
The invention of laser at bell labs 195898, www.belllabs.com/history/laser/
D. OShea and D. Peckham, Amer. J. of Phys. 49, 915 (1981).
J. Hecht, The Race to Make the Laser, Oxford 2005.
237
238 BIBLIOGRAPHY
Chapter 8
Scattering Theory
8.1 Introduction
History: Rayleigh, Rutherford, accelerators (atoms, nuclei, particles). Colliding beams. Tar
gets. LabCM
One is looking for a solution to the SE with boundary conditions [Scattering theory]:
in
= Ae
ik
i
x
,
out
= A
_
e
ik
i
x
+ f(, )
e
ik
f
x
r
_
(8.1)
In order to get the cross section one has to obtain the incoming and outgoing uxes (J =
(i/2m) [
()
]:
J
in
= [A[
2
k
i
m
, J
out
= [A[
2
[f[
2
r
2
k
f
m
(8.2)
and
d
d
dP
f
/ddt
dP
i
/dAdt
=
r
2
dP
f
/dAdt
[J
in
[
=
r
2
[J
out
[
[J
in
[
= [f[
2
[k
f
[
[k
i
[
= [f[
2
(8.3)
and for the elastic case where k
f
= k
i
one gas for the dierential cross section:
d
d
= [f[
2
, =
_
d
d
d
=
_
d[f[
2
(8.4)
239
240 CHAPTER 8. SCATTERING THEORY
6 41. Plots of cross sections and related quantities
and Rin e
+
e
Collisions
10
8
10
7
10
6
10
5
10
4
10
3
10
2
1 10 10
2
[
m
b
]
J/
(2S)
Z
10
1
1
10
10
2
10
3
1 10 10
2
R
J/
(2S)
s [GeV]
Figure 41.6: World data on the total cross section of e
+
e
hadrons, s)/(e
+
e
, s).
(e
+
e
hadrons, s) is the experimental cross section corrected for initial state radiation and electronpositron vertex loops, (e
+
e
, s) = 4
2
(s)/3s. Data errors are total below 2 GeV and statistical above 2 GeV. The curves are an educative guide: the broken one
(green) is a naive quarkparton model prediction, and the solid one (red) is 3loop pQCD prediction (see Quantum Chromodynamics section of
this Review, Eq. (9.7) or, for more details, K. G. Chetyrkin et al., Nucl. Phys. B586, 56 (2000) (Erratum ibid. B634, 413 (2002)). BreitWigner
parameterizations of J/, (2S), and (nS), n = 1, 2, 3, 4 are also shown. The full list of references to the original data and the details of
the R ratio extraction from them can be found in [arXiv:hepph/0312114]. Corresponding computerreadable data les are available at
http://pdg.lbl.gov/current/xsect/. (Courtesy of the COMPAS (Protvino) and HEPDATA (Durham) Groups, May 2010.) See fullcolor
version on color pages at end of book.
Figure 8.1: Sorted Cross sections
8.1. INTRODUCTION 241
12 41. Plots of cross sections and related quantities
10
10
2
10
1
1 10 10
2
10
3
10
4
10
5
10
6
10
7
10
8
P
lab
GeV/c
C
r
o
s
s
s
e
c
t
i
o
n
(
m
b
)
10
10
2
10
1
1 10 10
2
10
3
10
4
10
5
10
6
10
7
10
8
P
lab
GeV/c
C
r
o
s
s
s
e
c
t
i
o
n
(
m
b
)
s GeV
1.9 2 10 10
2
10
3
10
4
p p
p
p
total
elastic
total
elastic
Figure 41.11: Total and elastic cross sections for pp and pp collisions as a function of laboratory beam momentum and total centerofmass
energy. Corresponding computerreadable data les may be found at http://pdg.lbl.gov/current/xsect/. (Courtesy of the COMPAS group,
IHEP, Protvino, August 2005)
242 CHAPTER 8. SCATTERING THEORY
14 41. Plots of cross sections and related quantities
10
10
2
10
1
1 10 10
2
P
lab
GeV/c
C
r
o
s
s
s
e
c
t
i
o
n
(
m
b
)
10
10
2
10
1
1 10 10
2
P
lab
GeV/c
C
r
o
s
s
s
e
c
t
i
o
n
(
m
b
)
s GeV
d
p
1.2 2 3 4 5 6 7 8 9 10 20 30 40
2.2 3 4 5 6 7 8 9 10 20 30 40 50 60
+
p
total
+
p
elastic
d
total
p
total
p
elastic
Figure 41.13: Total and elastic cross sections for
p and
n
= E
n
n
is supposed to be known. The inhomogeneous
solution (for the general solution one has to add the homogenous part) can be written in general,
in terms of the Greens functions
(x) =
_
dx
G(x, x
)V (v
)(x
), (H
0
E) G(x, x
) = (x x
) (8.5)
This is the Integral SE. The Greens function can be written as
G(x, x
) =
n
(x)
n
(x
)
E
n
E
(8.6)
where the completeness relation has to be valid:
n
(x)
n
(x
) = (x x
). A particular
case is obtained by choosing H
0
= (1/2m)
2
, so the solution are the plane waves:
k
=
1
(2)
3/2
e
k
i
x
, E
k
=
k
2
2m
(8.7)
so the Greens function in this case becomes
G(x, x
) =
1
(2)
3
_
d
3
k
E
k
E
k
e
ik
(xx
)
=
2m
(2)
2
_
k
2
dk
dx
k
2
k
2
e
ik
rx
=
2m
(2)
2
ir
_
0
k
dk
2
k
2
_
e
ik
r
e
ik
r
_
=
2m
(2)
2
ir
_
dk
2
k
2
e
ik
r
=
2m
(2)
2
ir
_
ie
ikr
=
m
2r
e
ikr
(8.8)
with r = [x x
exp[ik[x x
[]
[x x
[
V (x
)(x
) (8.9)
and given that usually [x
[ [x[ x x
/[x[ + and
(x) =
m
2r
e
ik
f
r
_
dx
e
ik
f
x
V (x
)(x
) (8.10)
244 CHAPTER 8. SCATTERING THEORY
8.2.1 Born Aproximation
In the case the potential is weak enough the Integral SE of (8.10) can be solved iteratively. The
process can be initialized by choosing the wavefunction inside the integral equal to the original
incident wave:
(x)
inc.
= Ae
ik
i
x
disp
=
mA
2r
e
ik
f
x
_
d
3
x
e
ik
f
x
V (x
)e
ik
i
x
=
Af
r
e
ik
f
x
f(, ) =
m
2
_
d
3
x
e
iqx
V (x
) (8.11)
with q = k
f
k
i
, the transferred momenta. That give us the so called Fermis Golden
Rule to compute f, at leading order. Two important cases are the Yukawa and the Coulomb
potentials (a particular case when = 0):
V =
Z
r
e
r
(8.12)
Applying Fermis golden rule one obtain
f(, ) =
mZ
2
4
2
+ q
2
_
d
d
_
Ruth.
=
_
2mZ
q
2
_
2
=
(Z)
2
16E
2
sin
4
(/2)
Yukawa
= 4
_
2mZ
_
2
1
4k
2
+
2
=
4(Z)
2
E
2
0
(1 + 4E/E
0
)
(8.13)
with q
2
= 4k
2
sin
2
(/2), dq = k cos(/2) d, d = 2qdq/k
2
and (with E
0
=
2
/2m).
1. This is the dierential Rutherford cross section, that coincides with the result obtained
by E. Rutherford after the experiments realized by H. Geiger and E. Marsden in 1909
[QM history, Scattering theory, Nuclear Physics, Quarks discovery].
2. They observe large deviations od particles when they were red to a thin gold foil.
3. According to the Thomsons plumpudding atomic model that was impossible.
4. Rutherford conclude that atomic mass was very concentrated in what we now know as
the atomic nuclei that was responsible for the large deviations (see video).
5. He was able to obtain an upper bound for the nuclei radius of 27 fm, while the real radius
of the gold nucleus is 7.3 fm.
8.2. INTEGRAL SCHR
e
iqx
V (x
) (8.14)
where the potential feel by the an scattered electron is given as V (x) = e(x), with (x)
the electric potential produced by the distributed charge of the target. It obeys the Poisson
equation ( = /
0
), that can be written in terms of its fourier components
(q) =
(q)
0
q
2
, (x) =
_
d
3
q
(2)
3
e
iqx
(q) (8.15)
and similarly for (x). Thus
f =
me
2
0
(q)
q
2
mZe
2
2
0
F(q)
q
2
=
2mZ
q
2
F(q)
F(q) =
(q)
Ze
=
1
Ze
_
d
3
xe
iqx
(x) (8.16)
where F is the Form Factor and Ze is the total charge of the target. The cross section is,
then
_
d
d
_
=
_
d
d
_
Ruth.
[F(q)[
2
(8.17)
246 CHAPTER 8. SCATTERING THEORY
Figure 8.2: Rutherford cross section experimental measurement.
8.2. INTEGRAL SCHR
e
ik
f
x
V (x
)
_
e
ik
i
x
+
f(x
)
[x
[
e
ik
f
x
_
f
1
=
m
2
_
d
3
x
e
iqx
V (x
), f
2
=
_
m
2
_
2
_
d
3
x
V (x
)
[x
[
_
d
3
x
e
iqx
V (x
)
=
m
2
__
d
3
x
V (x
)
[x
[
_
f
1
(8.18)
so the dierential cross section can be expanded as
d
d
[f
1
[
2
+ 2Re (f
1
f
2
) (8.19)
and the Fermis golden rule is valid if
[f
1
[
2
2Re (f
1
f
2
) (8.20)
that can be estimated like f
1
ma
3
V
0
/2, f
2
(m/2)
2
a
3
(V
0
/a)a
3
V
0
. Finally the Fermi
golden rule is valid if mV
0
a
2
1. What about high energies?. For the Coulomb case f
2
8.3 Partial Waves
8.3.1 Partial waves decomposition
The SE in spherical coordinates is
_
1
2
1
r
2
r
_
r
2
r
_
+
L
2
2r
2
+ V (r)
_
= E
_
d
2
dr
2
+
2
r
d
dr
l(l + 1)
r
2
2V (r) + k
2
_
R
l
= 0 (8.21)
where k = 2E, =
klm
R
l
Y
lm
=
kl
R
l
P
l
, given the axial symmetry. When r ,
V 0 and the Spherical Bessel eq. is obtained. Its general solution is
R
l
= lim
r
[A
l
j
l
(kr) + B
l
n
l
(kr)] =
C
l
kr
sin(kr
l
2
+
l
)
(r ) =
l
C
l
kr
P
l
() sin(kr
l
2
+
l
) = A
_
e
ikz
+ f()
e
ikr
r
_
(8.22)
where the phase shifts or partial waves are
l
. Using the expansion
8.3. PARTIAL WAVES 249
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0 1,1
0,0
0,1
0,2
0,3
0,4
0,5
0,6
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0
0,0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
0,8
0,9
1,0
1,1
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0
0,0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
0,8
0,9
1,0
1,1
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0
0,00
0,05
0,10
0,15
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0
0,5
0,4
0,3
0,2
0,1
0,0
0,3 0,4 0,5 0,6 0,7 0,8 0,9 1,0
0,10
0,08
0,06
0,04
0,02
0,00
VMD Reson. Reson.
E
4
E
2
VMD
Reson.
E
2
R
e
(T
0 0 )
sqrt(s) [GeV]
E
4
T
0 0 
sqrt(s) [GeV]
VMD
E
4
E
4
E
2
E
2
T
1 1 
sqrt(s) [GeV]
VMD
Reson.
T
0 2 
sqrt(s) [GeV]
VMD
Reson.
E
4
E
4
E
2
E
2
R
e
(T
2 0 )
sqrt(s) [GeV]
VMD
Reson.
R
e
(T
2 2 )
sqrt(s) [GeV]
Figure 8.4: Partial wave phases
e
ikz
=
l0
(2l + 1)i
l
j
l
(kr)P
l
(cos )
l0
(2l + 1)i
l
sin(kr l/2)
kr
P
l
(cos ) (8.23)
Comparing the two former expressions, for all the space one obtains
c
l
= A(2l + 1)i
l
e
i
l
, f() =
l0
2l + 1
2ik
_
e
2i
l
1
_
P
l
(cos )
=
4
k
2
l0
(2l + 1) sin
2
(
l
) =
l0
l
,
l
=
4
k
2
(2l + 1) sin
2
(
l
)
4
k
2
(2l + 1) (8.24)
where the last bound is the unitarity bound, to be valid for the lth any partial wave,
independent of the potential. From this expansion one can show that
=
4
k
Im f(0) (8.25)
that is the Optical Theorem: The dispersion () is equal to the absorbed (f(0)). See Jackson
p. 460 and Bransden?.
8.3.2 Calculation of
l
Given that
f()
m
2
_
dx
e
iqx
V (x
) =
l0
2l + 1
2ik
_
e
2i
l
1
_
P
l
(cos ) (8.26)
250 CHAPTER 8. SCATTERING THEORY
If the potential is central and doing the angular integrals
_
dx
e
iqx
V (x
) = 2
_
0
dr
(r
)
2
V (r
)
_
1
1
d cos
e
iqr
cos
= 2i
_
0
dr
V (r
)
e
iqr
e
iqr
q
(8.27)
One can expand the exponential factors
e
iqr
q
=
e
i(k
i
k
f
)r
[k
i
k
f
[
= ir
l0
(2l + 1)j
l
(kr
)h
(1), (2)
l
(kr
)P
l
(cos )
e
iqr
e
iqr
q
= 2ir
l0
(2l + 1)[j
l
(kr
)]
2
P
l
(cos ) (8.28)
and
f() = 2m
l0
(2l + 1)P
l
(cos )
_
0
dr
(r
)
2
V (r
)[j
l
(kr
)]
2
=
l0
2l + 1
2ik
_
e
2i
l
1
_
P
l
(cos )
e
2i
l
= 1 + 4imk
_
0
dr
(r
)
2
V (r
)[j
l
(kr
)]
2
l
2mk
_
0
dr
(r
)
2
V (r
)[j
l
(kr
)]
2
2mk
2l+1
[(2l + 1)!!]
2
_
0
dr r
2(l+1)
V (r) (8.29)
Where these approximations are valid when the potential is weak, and the last one requires
the energies to be low. One can see that the convergence of the series is very fast for short
range potentials, like in Nuclear Physics.
8.4 Analitic solutions
8.4.1 Hard sphere
A hard sphere is an sphere, of radius a, inside of which the potential energy can be taken to
be innity and outside (r > a) is zero: the particle can not be inside the sphere. In this case
the Schr odinger equation, outside the sphere is
_
d
2
dr
2
+
2
r
d
dr
+ k
2
l(l + 1)
r
2
_
R
l
= 0 (8.30)
with k
2
= 2mE 0. The solution in general is
8.4. ANALITIC SOLUTIONS 251
R
l
(r) = a
l
j
l
(kr) + b
l
n
l
(kr) = c
l
[cos
l
j
l
(kr) sin
l
n
l
(kr)] (8.31)
The boundary condition, on the surface is R
l
(ka) = 0 and
tan
l
=
j
l
(ka)
n
l
(ka)
(8.32)
and the total cross section is
=
4
k
2
l
(2l + 1) sin
2
l
=
4
k
2
l
(2l + 1)
tan
2
l
1 + tan
2
l
=
4a
2
(ka)
2
l
(2l + 1)
j
2
l
(ka)
j
2
l
(ka) + n
2
l
(ka)
(8.33)
The limits of low and high energy are of particular interest. In the rst case
tan
l
(ka)
2l+1
(2l + 1)!!(2l 1)!!
ka (8.34)
so the Swave is dominant. The total cross section becomes (see Schi 123)
=
4
k
2
l
(2l + 1) sin
2
l
4a
2
(E 0) (8.35)
The high energy limit
=
4
k
2
l
(2l + 1) sin
2
l
4
k
2
ka
l=0
(2l + 1) sin
2
(ka l/2)
4
k
2
_
sin
2
x + 3 sin
2
(x /2) + + (2ka + 1) sin
2
(ka ka/2)
=
4
k
2
_
sin
2
x + (1 + 2) sin
2
(x /2) + (2 + 3) sin
2
(x /2)
+(ka + ka + 1) sin
2
(ka ka/2)
4
k
2
[1 + 2 + 3 + + ka]
4
k
2
(ka)
2
2
= 2a
2
(8.36)
(see Bransden sec. 11.3 and Schi 125, 343 and Sakurai Modern QM 409) that it doesnt
reduce to the classical limit but is a double counting.
252 CHAPTER 8. SCATTERING THEORY
8.4.2 Soft sphere and Finite well
In this case the potential is (for the sphere and for the bag, respectively)
V =
_
V
0
, r < a
0, r > a
(8.37)
the radial part of the SE is, for the bag (for the sphere V
0
V
0
)
_
d
2
dr
2
+
2
r
d
dr
+ k
2
l(l + 1)
r
2
_
R
l
= 0 (8.38)
with k
2
= 2mE for r > a, while for r < a k
2
2
= 2m(E + V
0
). The solution (nite at
the origin)
R
l
(r) = a
l
j
l
(r)
R
l
(r) = b
l
j
l
(kr) + d
l
n
l
(kr) = c
l
[cos
l
j
l
(kr) sin
l
n
l
(kr)] (8.39)
for r > a and r > a, respectively. Given the continuity of the logarithmic derivative one has
l
(a)
j
l
(a)
= k
cos
l
j
l
(ka) sin
l
n
l
(ka)
cos
l
j
l
(ka) sin
l
n
l
(ka)
(8.40)
Solving for the partial wave phases
tan
l
=
xj
l
(y)j
l
(x) yj
l
(y)j
l
(x)
xj
l
(y)n
l
(x) yj
l
(y)n
l
(x)
=
xj
l1
(x)j
l
(y) yj
l1
(y)j
l
(x)
xn
l1
(x)j
l
(y) yj
l1
(y)n
l
(x)
(8.41)
with y
2
x
2
= c
2
2mV
0
a
2
for the bag and the sphere, respectively. Several comments
are in order
1. For the s and pwaves one have
tan
0
=
x tan y y tan x
x tan x tan y + y
tan
1
=
(x
2
y
2
) tan x tan y + xy
2
tan y yx
2
tan x
xy
2
tan x tan y + (y
2
x
2
) tan y + yx
2
(8.42)
8.4. ANALITIC SOLUTIONS 253
2. The hard sphere is recovered taking V
0
so y and tan
l
j
l
(ka)/n
l
(ka), as it
should be
3. For a very energetic incoming particle E , x y, tan
l
0 and 0
4. For the soft sphere in the case E < V
0
and y become complex.
5. Ramsauer eect (Schi 123, 343; Sakurai MQM 409 [1])
8.4.3 Rutherford case
The case of the Coulombic potential or Rutherford (E > 0), in parabolic coordinates that are
dened as = r + z, = r z and tan = y/x. The SE becomes
_
4
+
_
_
+
1
2
+ 2m(E V )
_
= 0 (8.43)
giving that V = 2Z/( + ) one obtains (no considering the angular dependence)
_
4
+
_
_
+ k
2
+
4k
+
_
= 0 (8.44)
with k
2
= 2mE and = Zm/k. Taking = f()g() the equation becomes
1
f
f +
k
2
4
= c
1
1
g
f +
k
2
4
= c
2
(8.45)
with c
1
+ c
2
= k. With f = exp[ik/2] it is nd that c
1
= ik/2 and therefore c
2
=
k( + 1/2). For the other equation one can take g = hexp[ik/2] and h has to satisfy the
equation
h + (1 ik)
h + kh = 0
x
d
2
dx
2
h + (1 x)
d
dx
h ih = 0 (8.46)
with x = ik and h = F(i, 1, ik). Thus the complete wave function becomes =
F(i, 1, ik) exp[ikz]
254 CHAPTER 8. SCATTERING THEORY
8.5 Resonances
8.5.1 Resonances 1D
8.5.2 Resonances: case of nite well
Ramsauer eect.
8.5.3 BreitWigner parametrization
8.6 Spin eects. Identical particles
Interchange potential
8.7 Inelasticity
8.7.1 Optical Theorem
Complex potentials (schift p. 129)
8.8 SMatrix properties
SMatriz
and V
0
1. Plot the total cross section.
5. For the potential
V (r) =
m
2
2
(r a)
2
_
1, if r < a
0, otherwise.
get the dierential cross section.
6. For the potential V (x) = C
(3)
(x a) compute the dierential cross section.
7. Calculate the Dierential Cross section for the potential
V (x) = c(y)(z) [(x a) (x + a)]
8. Calculate the dierential Cross Section for the charge density, in the target given by
(x) = e
1
(3)
(x a) + e
2
(3)
(x +a). Comment the
case e
2
= e
1
.
9. Calculate the dierential cross section for an alpha particle hitting and hydrogenic atom.
Hint: rst compute the Form Factor.
256 CHAPTER 8. SCATTERING THEORY
8.11.2 Partial Wave Phases, Exercises
10. Estimate the partial wave
0
(E 0) for: a) the nite well/sphere, V (r) = V
0
, b) the
soft sphere, V (r) = m
2
(r a)
2
when r < a otherwise V = 0 and c) for the Yukawa
potential V = V
0
e
r
/r .
l
2mk
2l+1
[(2l + 1)!!]
2
_
a
0
dr r
2(l+1)
[V
0
]) = 2mV
0
a
2
(ka)
2l+1
[(2l + 1)!!]
2
8a
2
m(V
0
a)
2
E
l0
(2l + 1)
(ka)
4l+2
[(2l + 1)!!]
4
(8.47)
For b)
32a
2
(ma
2
)
4
l0
(2l + 1)(ka)
4l
[(2l + 1)!!]
4
(2l + 3)
2
(2l + 4)
2
(2l + 5)
2
(8.48)
and c)
l
2mV
0
(k)
2l+1
[(2l + 1)!!]
2
4
_
2mV
0
k
_
2
l0
(2l + 1)
(k)
2l+2
[(2l + 1)!!]
4
(8.49)
11. Compute the Dierential Cross Section for the potential
V (r) =
_
Cr
4
, if r < a
0 otherwise.
12. If the dierential cross section is expanded as
d
d
= A + BP
1
+ CP
2
+
nd the values of the constants A, B, C, as function of the partial waves phases
l
13. What are the advantages and disadvantages of the methods: a) Greens functions and b)
partial waves.
14. Can you give a simple argument why
l
<
l
<l
?
8.11. SCATTERING EXERCISES 257
8.11.3 Exact solutions, Resonances and Inelasticity Exercises
15. Compute, using the Classical Physics the dierential and the total cross section for the
perfect sphere.
16. What is a resonance, and what conditions must be satised in order to have one?.
17. What are the physical meaning of the parameters in the BreitWigner description of the
resonances:
2
/
_
(E m
R
)
2
+
2
18. a) What are the physical meaning of the parameters in the BreitWigner description of
the resonances:
=
2
(E E
R
)
2
+
2
(8.50)
b) If the formula above is valid can we be sure to have a resonance?, why?
19. (a) Obtain simple expressions for tan(
l
), with l = 0, 1, 2 for the case of the nite well
and the soft sphere.
(b) Plot tan(
l
) (the rst ls)for the case of the nite well. Do you nd resonances?,
what is the reason for their presence?
(c) The same as before but for the case of the soft sphere.
20. Bosqueje las ondas parcial
0
(E 0) y
1
(E 0) para: a) el pozo de potencial nito,
V (r) = V
0
y b) la esfera semirigida, V (r) = V
0
para r < a y V (r) = 0 para r > a
21. What is the Optical Theorem for the Elastic and for the inelastic case?
22. (a) Calcule
l
para un pozo de potencial de profundidad V
0
(b) Haga un bosquejo de
l=0
el caso del pozo anterior y de una esfera semirgida.
(c) Halle (d/d) [
E0
usando ondas parciales y la aproximacion de Born. Compare.
23. Brevemente:
(a) What is the meaning of dierential cross section?, can we use this concept for sound
waves?
(b) What is the meaning of a large cross section(diferencial y total)?
24. Calcule las seccion ecaces diferencial y total para los potenciales: V (x) = c
(3)
(x a), y
para el caso b) V (x) = c(x a)(y)(z).
25. Que es una resonancia?, a que se debe?, como sabemos que tenemos resonancia?.
258 CHAPTER 8. SCATTERING THEORY
26. (a) Calcule
l
para un pozo de potencial de profundidad V
0
(b) Haga un bosquejo de esta para el caso del pozo anterior y de una esfera semirgida,
en el caso de l = 0.
27. (a) Diga en palabras cuando no se puede usar la aproximaci on de Born
(b) Cuando es mas util el metodo de Ondas Parciales ?, porque?.
28. Calcule la seccion ecaz diferencial para una densidad de carga, en el blanco de (x) =
e
1
(3)
(x a) + e
2
(3)
(x +a). Comente el caso e
2
= e
1
.
Bibliography
8.12 Scattering Theory references
[Scattering theory] R. Newton, Scattering Theory of Waves and Particles (2nd Ed.). Springer
Verlag 1982.
M. Goldberg and K. Watson, Collision Theory. John Wiley .
C. Joachain, Quantum Collision Theory (2nd ed.). North Holland 1979.
[Quarks discovery] M. Riordan, The discovery of Quarks (Science?), SLACPUB5724, Apr.
1992.
R. Wilson, Form Factors of Elementary Particles, Phys. Tod. Jan.69, 47 (1969).
M. Jacob and P. Landsho, The Inner structure of the proton, Sci. Ame. 242 (Mar.80),
46 (1980).
259
260 BIBLIOGRAPHY
Appendix A
Constants and Formulae
A.1 Constants, units
= 10
34
J s = 6.6 10
22
MeV s, c = 197.3 MeV fm = 1973 eV
A, (c)
2
= 0.0389 (GeV fm)
2
1
= 137.035,
visible
= [3800 7600]
A, c = 3 10
8
m
s
, k
B
= 1.38 10
23
J
o
K
= 8.62 10
5
eV
o
K
m
e
= 0.5 MeV = 9.1 10
31
Kg, m
p
= m
n
= uma = 938 MeV = 1.7 10
27
Kg,
m
= 105.7 MeV, m
= 139.6 MeV
B
= e/2m
e
= 5.8 10
5
eV/T = 9.3 10
24
J/T,
N
= e/2m
p
3.15 10
8
eV/Telsa
G = 6.7 10
11
N m
2
/K
2
, M
= 1.99 10
30
K, M
= 5.98 10
24
K, M
= 7.34 10
22
K
R
= 1.5 10
11
m, R
= 3.84 10
8
m, R
= 6380Km, T
= 27.322 days
1eV = 1.6 10
19
Jul. = 2.4 10
14
hz, 1 cm
1
= 1.24 10
4
eV = 3 10
10
hz
natural units : = c = e = 1, = 1/4
0
=
0
/4, [F] = [E] = [B] = eV
2
(A.1)
kind [hz] [m] E [eV] kind [10
14
hz] [10
7
m]
radio 5 10
5
1.6 10
8
0.2 700 (0.01 7) 10
6
red 3.844.82 6.227.8
MW 10
9
10
12
1 10
3
10
5
0.001 orange 4.825.03 5.976.22
IR 3 10
11
4 10
14
10
3
10
6
0.001 1.65 yellow 5.035.2 5.775.97
visible (4 7.5)10
14
(0.4 0.8) 10
6
1.65 3.1 green 5.26.1 4.925.77
UV (0.8 30) 10
15
4 10
7
10
8
3.1124 blue 6.16.59 4.554.92
r. X 3 10
16
3 10
19
10
8
10
11
124 10
6
violet 6.597.69 3.94.55
r. > 10
20
< 10
12
> 10
6
261
262 APPENDIX A. CONSTANTS AND FORMULAE
A.2 Useful formulae 1D
m
2
< v
2
> =
3
2
k
B
T,
t
= J, = [[
2
, J =
i
2m
[
] =
1
m
Im[
], [x
i
, p
j
] = i
ij
p = k = i, E = p
2
/2m = , k = 2/, =
2c
E
2
m
2
c
4
J
I
= ([A[
2
[B[
2
)
k
m
, T = ma
2
n
=
_
2
a
sin
_
nx
a
_
E
n
=
n
2
2
2ma
2
n
= N
n
e
2
/2
H
n
(), E
n
= (n + 1/2), [N
n
[
2
= /2
n
n!, = x,
2
= m
2xH
n
(x) = H
n+1
(x) + 2nH
n1
(x), H
n
(x) = 2nH
n1
(x),
_
dx e
x
2
H
n
(x)H
m
(x) = 2
n
n!
nm (A.2)
x
n,l
=
1
2
_
l + 1
n,l+1
+
l
n,l1
_
, p
n,l
=
i
2
_
l + 1
n,l+1
l
n,l1
_
x
2
n,l
=
1
2
2
_
_
(l + 1)(l + 2)
n,l+2
+ (2l + 1)
n,l
+
_
l(l 1)
n,l2
_
p
2
n,l
=
2
2
_
_
(l + 1)(l + 2)
n,l+2
(2l + 1)
n,l
+
_
l(l 1)
n,l2
_
, x
3
nn
= p
3
nn
= 0
x
4
nn
=
3
2
4
_
n(n + 1) +
1
2
_
, p
4
nn
=
3
4
2
_
n(n + 1) +
1
2
_
(A.3)
A.3 Useful formulae 3D
E
T
= E
CM
+ E
rel.
, 2 < K >=< r V (r) >
=
_
8
V
sin
_
n
1
x
a
_
sin
_
n
2
y
b
_
sin
_
n
3
z
c
_
, E
n
1
n
2
n
3
=
1
2m
_
_
n
1
a
_
2
+
_
n
2
b
_
2
+
_
n
3
c
_
2
_
(x) =
_
1
3
2
n
1
+n
2
+n
3
n
1
!n
2
!n
3
!
3/2
exp[(
2
1
+
2
2
+
2
3
)/2]H
n
(
1
)H
n
(
2
)H
n
(
3
)
E = (n
1
+ 1/2)
1
+ (n
2
+ 1/2)
2
+ (n
3
+ 1/2)
3
, E
n
= (n + 1/2) +
k
2
f
2m
, =
eB
m
(A.4)
klm
=
_
2
kj
l
(kr)Y
lm
(, ), E = k
2
/2
R
nl
= A
nl
j
l
(x
nl
r/a)Y
lm
(, ),
1
[A
nl
[
2
=
a
3
2
[j
l+1
(x
nl
)]
2
, E
nl
=
x
2
nl
2a
2
, (j
l
(x
nl
) = 0; x
ns
= n, x
np
= 4.5, 7.7)
E
nl
= V
0
(
2
nl
/c
2
1) (A.5)
A.4. FORMALISM FORMULAE 263
nlm
= N
nl
e
2
/2
l
F
_
n,
2l + 3
2
,
2
_
Y
lm
, E
n,l,m
= (2n + l + 3/2)
[N
nl
[
2
= 2()
3/2
(n + l + 3/2)
(n + 1)
2
(l + 3/2)
(A.6)
nlm
= N
nl
e
/2
l
L
2l+1
nl1
()Y
lm
, [N
nl
[
2
=
(n l 1)!
(n + l)!
4
n
4
a
3
, E
n
= (/2) (Z/n)
2
a =
1
Z
=
a
Z
, a
B
= 0.53 10
8
cm, [
Coul.
nlm
(r = 0)[
2
=
1
_
1
na
_
3
, v
rms
=
Z
n
_
1
r
_
=
1
n
2
a
,
_
1
r
2
_
=
1
n
3
(l + 1/2)a
2
,
_
1
r
3
_
=
1
n
3
l(l + 1/2)(l + 1)a
3
, < r >=
_
1 +
1
2
_
1
l(l + 1)
n
2
__
n
2
a
R
1s
= 2
_
Z
a
0
_
3/2
e
Zr/a
0
, R
2s
= 2
_
Z
2a
0
_
3/2
_
1
Zr
2a
0
_
e
Zr/2a
0
, R
2p
=
1
3
_
Z
2a
0
_
3/2
Zr
a
0
e
Zr/2a
0
(A.7)
A.4 Formalism formulae
n
[n >< n[ = 1,
n
(x)
n
(y) = (x y)
a =
2
_
x +
ip
2
_
, a
2
_
x
ip
2
_
, [a, a
] = 1,
2
= m
a
[n >=
n[n 1 >
fg
1
2
[h[, [f, g] = ih
d < f >
dt
= i [H, f]) +
< f >
t
,
df
dt
= i[H, f] +
f
t
d < p >
dt
= F = U) , 2 < K >=< r [V ] >
[(t) >
H
= exp[itH][(t) >
S
, f
H
= exp[itH]f
S
exp[itH]
[(t) >
I
= exp[itH
0
][(t) >
S
, f
I
= exp[itH
0
]f
S
exp[itH
0
] (A.8)
264 APPENDIX A. CONSTANTS AND FORMULAE
A.5 Angular Momenta
[J
i
, J
j
] = i
ijk
J
k
, [J
+
, J
] = 2J
z
, [J
z
, J
] = J
, J
2
= J
+ J
2
z
J
z
= (J
J
+
+ J
+
J
)/2 + J
2
z
J
[jm >=
_
(j m)(j m + 1)[l, m1 >==
_
j(j + 1) m(m1)[l, m1 >, J
= J
x
iJ
y
Y
lm
=
_
2l + 1
4
(l m)!
(l + m)!
_
1/2
(1)
m
e
im
P
m
l
(cos ), Y
00
=
1
4
; Y
10
=
_
3
4
cos , Y
11
=
_
3
8
e
i
sin
d = ddx,
_
dY
lm
Y
l
m
=
ll
mm
, E
l
=
l(l + 1)
2I
, E = g
B
Bm
J
+
=
_
_
0 1 0
0 0 1
0 0 0
_
_
, I
esfera
=
2
5
mr
2
, I
disco,eje
= 2I
disco,diametro
=
1
2
mr
2
, H =
1
2
_
L
2
x
I
x
+
L
2
y
I
y
+
L
2
z
I
z
_
1
=
_
0 1
1 0
_
,
2
=
_
0 i
i 0
_
,
3
=
_
1 0
0 1
_
(A.9)
A.6 Perturbations theory
E
(1)
n
= H
nn
, C
(1)
nl
=
H
ln
E
(0)
n
E
(0)
l
[1
nl
], E
(2)
n
=
m=n
[H
nm
[
2
E
(0)
n
E
(0)
m
,
m
_
H
lm
lm
E
(1)
n
_
C
(0)
nm
= 0
C
(1)
nl
=
1
nl
E
(0)
n
E
(0)
l
mn
H
lm
C
(0)
nm
, i c
n
(t) =
m
e
inmt
H
nm
(t)c
m
, H
nm
(t) =< n[H
(t)[m >
_
b
a
pdx = (n + 1/2), p =
_
2m(E V ),
WKB
(x)
C
p
exp
_
i
_
p dx
_
, p =
_
2m(E V ) (A.10)
A.7 Matter
E = E
n
_
Z
n
_
2
_
3
4
n
J + 1/2
_
, K =
_
p
2
+ m
2
m
E
nJ
= m
_
1 + (Z)
2
/
_
n J 1/2 +
_
(J + 1/2)
2
(Z)
2
1/2
_
2
_
1/2
m
E =
g
I
2
3
mM
4
_
Z
n
_
3
F(F + 1) I(I + 1) J(J + 1)
J(J + 1)(2l + 1)
, g = 1 +
J(J + 1) + S(S + 1) l(l + 1)
2J(J + 1)
E =
B
gm
J
B, E =
B
(m
l
+ 2m
s
)B, H
= ecz
E =
m
e
(Z)
4
4n
3
_
k(n, 0), l = 0
k(n, l) 1/(j + 1/2)(l + 1/2), j = l 1/2
, 12.7 < k(n, 0) < 13.3, k(n, l > 0) < 0.05
E
njl
=
m
4
2n
3
_
11
32n
1 +
jl
/2
2l + 1
_
,
jl
=
_
_
(3l + 4)/(l + 1)(2l + 3) ifj = l + 1
1/l(l + 1) ifj = l
(3l 1)/l(2l 1) ifj = l 1
(A.11)
A.8. RADIATION 265
A.8 Radiation
d
d
=
2
3
ba
[ r
ba
[
2
, =
4
3
3
ba
[r
ba
[
2
, x
n,n1
= x
n1,n
=
_
n
2m
< 2p , m = 1[r[1s >=
a
6
(1, i, 0) , < 2p, m = 1[r[1s >=
a
6
(1, i, 0) < 2p, m = 0[r[1s >=
a
3
(0, 0, 1)
a =
4!
6
_
2
5
_
5
a
0
Z
,
1
= (c
, c
, s
),
2
= (s
, c
, 0) (A.12)
A.9 Scattering
d
d
dP
f
/ddt
dP
i
/dAdt
=
r
2
[J
out
[
[J
in
[
= [f[
2
[k
f
[
[k
i
[
, f(q) =
m
2
_
d
3
x e
iqx
V (x), q = k
n.
k
in.
_
d
d
_
Ruth.
=
_
2mZ
q
2
_
2
=
(Z)
2
16E
2
sin
4
(/2)
,
Yukawa
= 4
_
2mZ
_
2
1
4k
2
+
2
, q
2
= 4k
2
sin
2
(
2
)
d
d
=
_
d
d
_
Ruth.
F(q
2
)
2
, F(q) =
(q)
Ze
, barn = 10
24
cm
2
f() =
l
2l + 1
2ik
_
e
2i
l
1
_
P
l
(cos()), =
4
k
2
l
(2l + 1) sin
2
(
l
)
R
l
C
l
kr
sin(kr
l
2
+
l
),
l
2mk
2l+1
[(2l + 1)!!]
2
_
0
drr
2(l+1)
V (r), tan
l
=
j
l
(ka)
n
l
(ka)
(A.13)
A.10 Integrals
_
sin
2
(ax)dx =
x
2
sin(2ax)
4a
,
_
x sin
2
(ax)dx =
x
2
4
x sin(2ax)
4a
cos(2ax)
8a
2
,
_
0
drr
n
e
ar
=
n!
a
n+1
_
cos
2
(ax)dx =
x
2
+
sin(2ax)
4a
,
_
x cos
2
(ax)dx =
x
2
4
+
x sin(2ax)
4a
+
cos(2ax)
8a
2
_
sin(ax) cos(ax)dx =
sin
2
(ax)
2a
,
_
x
2
sin
2
(ax)dx =
x
3
6
_
x
2
4a
1
8a
3
_
sin(2ax)
x cos(2ax)
4a
2
_
0
dx e
ax
2
=
1
2
_
a
,
_
0
dx x
2
e
ax
2
=
1
4a
_
a
(A.14)
266 APPENDIX A. CONSTANTS AND FORMULAE
Appendix B
Math
B.1 Basic Math
(a + b)
n
=
n
k=0
_
n
k
_
a
nk
b
k
,
_
n
k
_
=
n!
k!(n k)!
=
n(n 1) (n k + 1)
k!
(B.1)
B.1.1 Trigonometry
Trigonometric identities are
tanh
1
(x) =
1
2
ln
_
1 + x
1 x
_
, tan
1
(x) =
i
2
ln
_
1 + ix
1 ix
_
(B.2)
and tanh(ix) = i tan(x), tanh
1
(ix) = i tan
1
(x), tan
1
(1/x) = tan
1
(x) /2 and
tan(x + n) = tan(x)
B.1.2 Quadratic (Conic) Plots
Ax
2
+ Bxy + Cy
2
+ Dx + Ey + F = 0 (B.3)
with I = B
2
4AC and tan(2) =
B
AC
. If I = 0 it is a parabola, if I < 0 is an ellipse and
if I > 0 is a hyperbola. [AB, C] = AC, B C, A B Roman p. 65.
267
268 APPENDIX B. MATH
B.1.3 Vectorial Calculus
a (b c) = (a b) c
a (b c) = b(a c) c(a b)
(A B) = (A )B + (B )A + B ( A) + A ( B)
(fA) = (f) A + f( A)
(A B) = B ( A) A ( B)
(fA) = (f) A + f( A)
(A B) = (B )A (A )B + ( B)A ( A)B
( B) = ( A)
2
A (B.4)
B.1.4 Curvilinear coordinates
dr =
i
h
i
dq
i
u
i
, d
2
V =
i
h
i
dq
i
=
i
1
h
i
_
q
i
_
u
i
A =
1
h
1
h
2
h
3
_
h
2
h
3
A
1
q
1
+
h
1
h
3
A
2
q
2
+
h
1
h
2
A
3
q
3
_
A =
1
h
1
h
2
h
3
h
1
u
1
h
2
u
2
h
3
u
3
/q
1
/q
2
/q
3
h
1
A
1
h
2
A
2
h
3
A
3
2
=
1
h
1
h
2
h
3
_
q
1
h
2
h
3
h
1
q
1
+
q
2
h
1
h
3
h
2
q
2
+
q
3
h
1
h
2
h
3
q
3
_
(B.5)
(q
1
, q
2
, q
3
) h
1
h
2
h
3
u
1
u
2
u
3
(x, y, z) 1 1 1 i j k
(r, , ) 1 r r sin u
r
u
(, , z) 1 1 u
u
z
Table: Curvilinear coordinates.
2
=
1
r
2
r
r
2
r
+
1
r
2
sin
sin
+
1
r
2
sin
2
2
=
1
r
2
r
r
2
r
1
r
2
L
2
=
2
2
+
1
+
1
2
+
2
z
2
(B.6)
B.1. BASIC MATH 269
B.1.5 Diracs delta
(f(x)) =
i
(x x
i
)
[f
(x
i
)[
, (x) =
(x)
_
f(x)
(x a)dx = f
(a), x
(x) = (x)
(n)
(x x
) =
1
[J[
n
i=1
(
i
i
)
(3)
(x x
) =
(r r
)
r
2
(2)
(
) =
(r r
)
r
2
(
)(
)
sin
=
(r r
)
r
2
(t t
)(
)
=
(
(z z
)(
) (B.7)
where [J[ =
n
i=1
h
i
(Morse Feshbach). Several representations are (Libo [1] and Byron
and Fuller in [QM formalism])
(x) =
1
2
_
dk e
ikx
=
1
_
0
dk cos(kx)
(x) =
1
2
e
inx
=
1
2
_
1 + 2
n=1
cos(nx)
_
(x) = lim
a0
1
a
exp[x
2
/a
2
] =
1
lim
a
sin(ax)
x
=
1
lim
a
1 cos(ax)
ax
2
(x) =
2
lim
a
sin
2
(ax/2)
ax
2
= lim
a0
1
a
x
2
+ a
2
=
1
lim
a0
Im
1
x ia
(x) = lim
n
(2n + 1)!
2
2n+1
(n!)
2
(1 x
2
)
n
(1 x) (B.8)
B.1.6 Complex Analysis
The Cauchys Theorem is given as [4]
_
f(z)dz = 2i
res.
n(, z
i
)resf(z
i
)
res.f(z
i
) =
1
(m1)!
lim
zz
i
d
m1
dz
m1
[(z z
i
)f(z)]
_
C
f(z)dz
(z )
n
=
2i
(n 1)!
f
(n1)
() (B.9)
with the positive sign if the contour integral is counterclockwise, otherwise a minus sign has
to be added.
270 APPENDIX B. MATH
B.1.7 Analytical Integrals
Gaussian Integrals
_
0
x
n
e
ax
dx =
(n + 1)
a
n+1
=
n!
a
n+1
,
_
x
2n
e
ax
2
dx =
(2n 1)!!
(2a)
n
_
a
_
e
ax
2
+bx
dx =
_
a
e
b
2
/4a
,
_
x
n
e
ax
2
+bx
dx =
_
a
d
n
db
n
e
b
2
/4a
_
xe
ax
2
+bx
dx =
_
a
b
2a
e
b
2
/4a
,
_
x
2
e
ax
2
+bx
dx =
_
a
1
2a
_
1 +
b
2
2a
_
e
b
2
/4a
_
0
e
x
2
/4abx
dx =
ae
ab
2
_
1 Erf(b
a)
(B.10)
with Erf(x) the error function (Abramowitz 295)
_
d x
Y
=
_
1
a
log
_
2ax + b + 2
ax
2
+ bx + c
_
, if a > 0
1
a
sin
1
_
2axb
b
2
4ac
_
, if a < 0
_
d x
Y
=
_
_
1
b
2
4ac
log
_
2ax+b
b
2
4ac
2ax+b+
b
2
4ac
_
, if b
2
> 4ac
2
4acb
2
tan
1
_
2ax+b
4acb
2
_
, if b
2
< 4ac
2
2ax+b
, if b
2
= 4ac
_
dx log Y =
_
_
(x +
b
2a
) log Y 2x +
b
2
4ac
a
tanh
1 2ax+b
b
2
4ac
, if b
2
> 4ac
(x +
b
2a
) log Y 2x +
4acb
2
a
tan
1
_
2ax+b
4acb
2
_
, if b
2
< 4ac
2
a
[
a x +
c] [log(
a x +
c) 1] , if b
2
= 4ac
_
xe
ax
dx =
_
x
a
1
a
2
_
e
ax
,
_
x
2
e
ax
dx =
_
x
2
a
2x
a
2
+
2
a
3
_
e
ax
(B.11)
with Y = ax
2
+ bx + c (CRC p. 390). From Landau p. 242 [4]
P
_
0
dk
k
2
k
2
2
= 0 (B.12)
B.2. RELATIVITY 271
B.2 Relativity
A fourvector A
= (A
0
, A) transforms under the Lorentz transformations (with v the relative
velocity along the xaxis, and in natural units c = 1)
A
0
= (A
0
+ vA
1
) = A
0
cosh + A
1
sinh , A
2
= A
2
, A
3
= A
3
A
1
= (A
1
+ vA
0
) = A
1
cosh + A
0
sinh
x = x
+
_
x
v
v
2
( 1) + t
_
v, t = (t
+v x
) (B.13)
with = 1/
1 v
2
, cosh = , sinh = v (so tanh = v 1) and given that cosh
2
sinh
2
= 1. In particular the norm, and the inner (or dot) product between two fourvectors
are invariant.
[A[
2
=
_
A
0
_
2
A
2
= A
= A
, A
= (A
0
, A) (B.14)
is invariant with (A
and A
= diag.(1, 1, 1, 1), g
, g
= g
(B.15)
Examples of fourvectors are
x
= (t, x), s
2
= t
2
(x)
2
, u
dx
d
=
u
(1, u), a
d
2
x
d
2
=
4
u
_
a u, (a u)u +
a
2
u
_
p
= mv
= m(1, v) = (E, p) = i
= i
x
= i
_
t
,
_
,
=
_
t
,
_
= g
=
x
, F
= ma
=
u
(F u, F) =
u
(P, F), k
= (, k),
F =
dp
dt
= m
3
u
(a u)u + m
u
a = m
3
u
a
+ m
u
a
, a
=
a u
u
2
u, a
= a a
= (, J), A
= (, A),
= (
0
,
i
) (B.16)
with dt = d, been the proper time. Several norms are p
= E
2
p
2
= m
2
v
= 1.
Velocities are added as
u
x
=
u
x
+ v
1 + u
x
v
, u
y
=
u
y
(1 + u
x
v)
,
u
=
u
(1 + u
x
v) (B.17)
In general Lorentz transformations can be written as x
=
_
_
_
_
v 0 0
v 0 0
0 0 1 0
0 0 0 1
_
_
_
_
,
= g
, (B.18)
Given that the norm has to be invariant one has that
g
= g
__
_
= g
(B.19)
and
=
_
T
_
= g
, so (det.)
2
= 1 and det. = 1. They
correspond to the proper and improper Lorentz group.
Similarly tensors are dened as the quantities T
(T
(B.20)
The Electromagnetic tensor and its dual (E = A
0
A/t and B = A)
F
=
_
_
0 E
x
E
y
E
z
E
x
0 B
z
B
y
E
y
B
z
0 B
x
E
z
B
y
B
x
0
_
_
, F
=
1
2
=
1
2
=
_
_
0 B
x
B
y
B
z
B
x
0 E
z
E
y
B
y
E
z
0 E
x
B
z
E
y
E
x
0
_
_
(B.21)
There are two invariants:
F
= 2(
E
2
B
2
), F
= g
E
B (B.22)
The Maxwell equations (in homogenous and homogenous) and the Lorentz force are
=
0
J
= 0,
dp
d
= eF
(B.23)
The Pauli matrices have the following properties:
j
=
ij
+ i
ijk
k
, a b = a b + i (a b)
1
=
_
0 1
1 0
_
,
2
=
_
0 i
i 0
_
,
3
=
_
1 0
0 1
_
(B.24)
B.3. SPECIAL FUNCTIONS 273
[
i
,
j
] = 2i
ijk
k
,
i
,
j
= 2
ij
, = 2i, they are traceless and tr
i
j
= 2
ij
.
The totally antisymmetric tensor satisfy
= g
+ g
+ = det(g
= g
+ g
+ g
+ = det(g
= 2
_
g
_
,
= 6g
= 4! = 24 (B.25)
where in the rst case = , , and (to form a 4 4 determinant), in the second case
= , and (to form a 3 3 determinant), and similarly for
. The 3D version is
ijk
lmk
=
il
jm
im
jl
,
ikl
ikm
= 2
lm
,
ikl
ikl
= 3! (B.26)
B.3 Special Functions
B.3.1 Bessel functions
Bessel functions are the solutions (J
(x) = Y
(x):
Bessel function of second kind, Weber or Neumann function) to the Bessel equation
J
(r) +
1
r
J
(x) +
_
1
2
2
_
J
(x) = 0 (B.27)
From them one can dene Hankel functions of rst and second kind (or Bessel functions
of third kind) as H
(1,2)
(x) J
(x) iN
(x ) =
_
2/x exp[ix]. When the argument is pure complex one can use the modied Bessel func
tions of rst and second class dened as
I
(x) i
(ix), K
(x)
2
i
+1
H
(1)
(ix) (B.28)
at x = 0 I
is not. At
innity the behavior is
I
(x)
cos(x)
x
, K
(x) e
x
(B.29)
The Wroskian is I
n
(x)K
n
(x)
K
n
(x)I
n
(x)
n=
J
n
(x)t
n
(B.31)
Recurrence relations and orthogonality conditios are
J
n+1
(x) =
2n
x
J
n
(x) J
n1
(x), J
n
(x) =
1
2
(J
n1
(x) J
n+1
(x))
xJ
n
(x) = nJ
n
(x) xJ
n+1
(x),
_
0
dJ
()J
) =
1
)
_
a
0
dr r
2
[J
l
(x
nl
r/a)]
2
=
a
3
2
[J
l+1
(x
nl
)]
2
(B.32)
B.3.2 Spherical Bessel functions
The spherical Bessel functions (z
n
(x) =
_
/2x Z
n+1/2
(x))[4] obey are the solutions to the
Helmholtz eq. in spherical coordinates:
r
2
R
(r) + 2rR
(x) + [r
2
l(l + 1)]R(x) = 0 (B.33)
the rst solutions are given as
j
0
=
sin x
x
, j
1
=
sin x
x
2
cos x
x
, j
2
=
_
3
x
3
1
x
_
sin x 3
cos x
x
2
n
0
=
cos x
x
, n
1
=
cos x
x
2
sin x
x
n
2
=
_
3
x
3
1
x
_
cos x 3
sin x
x
2
h
(1)
0
=
i
x
e
ix
, h
(1)
1
=
_
1
x
+
i
x
2
_
e
ix
h
(1)
2
=
_
i
x
3
x
2
3i
x
3
_
e
ix
(B.34)
where the Hankel functions are dened as h
(1)
l
(x) = j
l
(x) n
l
(x). The recurrence relations,
for spherical Bessel functions
z
l+1
=
2l + 1
x
z
l
z
l1
, z
l
=
1
2l + 1
[lz
l1
(l + 1)z
l+1
] (B.35)
_
a
0
dr r
2
j
n
(x
np
r/a)j
n
(x
nq
r/a) =
a
3
2
[j
n+1
(x
np
)]
2
pq
Arfken 628
_
a
0
dr rJ
(
l
r/a)j
(x
k
r/a) =
a
3
2
[J
+1
(x
p
)]
2
lk
Arfken 628
_
0
dJ
()J
) =
1
) (B.36)
B.3. SPECIAL FUNCTIONS 275
Asymptotic behavior
j
l
x
l
(2l+1)!!
_
1
x
2
2(2l+3)
+
_
j
l
sin(x l/2)
x
n
l
(2l1)!!
x
l+1
_
1
x
2
2(12l)
+
_
n
l
cos(x l/2)
x
(B.37)
B.3.3 Hypergeometric functions
The hypergeometric equation and function (Abramowitz chap. 15, Arfken 749)
x(1 x)y
+ [c (a + b + 1)x]y
aby = 0, y
1
=
2
F
1
(a, , b , c ; x),
y
2
= (1 x)
1c
2
F
1
[a + 1 c, b + 1 c, 2 c, x]
2
F
1
(a, , b , c ; x) = 1 +
a b
1 c
x +
a(a + 1) b(b + 1)
1 2 c(c + 1)
x
2
+
a(a + 1)(a + 2) b(b + 1)(b + 1)
3! c(c + 1)(c + 2)
x
3
+
P
m
n
(x) =
(n + m)!
(n m)!
(1 x
2
)
m/2
2
m
m!
2
F
1
_
mn, m + n + 1, m + 1 ;
1 x
2
_
(B.38)
B.3.4 Conuent Hypergeometric functions
Conuent Hypergeometric, or Kummers functions (Arfken p. 753, Abramowitz chap. 13, p.
503, Gradshteyn 1084 [4]), M(a, c, x) = F(a, c, x) = (a, c, x)
xy
(x) + (c x)y
(x) ay(x) = 0
y(x) =
1
F
1
(a, c; x) = M(a, c; x) = 1 +
a
c
x
1!
+
a(a + 1)
c(c + 1)
x
2
2!
+ , c ,= 0, 1, 2,
y(x) = x
1c
M(a + 1 c, 2 c; x), c ,= 2, 3, 4 Second solution
U(a, c; x) =
sin(c)
_
M(a, c; x)
(a c)!(c 1)!
x
1c
M(a + 1 c, 2 c; x)
(a 1)!(1 c)!
_
(B.39)
Its asymptotic behavior is for x
M(a, c; x)
(c)
(a)
e
x
x
ca
_
1 +
(1 a)(c a)
1!x
+
(1 a)(2 a)(c a)(c a + 1)
2!x
2
+
_
U(a, c; x)
1
x
a
_
1 +
a(1 + a c)
1!x
+
a(a + 1)(1 + a c)(2 + a c)
2!x
2
+
_
(B.40)
Their derivatives are
276 APPENDIX B. MATH
d
n
dx
n
F(a, c, x) =
a(a + 1) (a + n)
c(c + 1) (c + n)
F(a + n, c + n; x)
d
n
dx
n
U(a, c, x) = (1)
n
a(a + 1) (a + n)U(a + n, c + n; x) (B.41)
Whittaker function
M
k
(x)
_
1
4
+
k
x
+
1/4
2
x
2
_
M
k
(x) = 0
M
k
(x) = e
x/2
x
+1/2
M( k + 1/2, 2 + 1; x)
W
k
(x) = e
x/2
x
+1/2
U( k + 1/2, 2 + 1; x) (B.42)
several particular cases and relations with other functions are (H
m
= H
=0
m
) [4]
H
2n
() = (1)
n
(2n)!
n!
M(n; + 1/2,
2
), H
2n+1
() = (1)
n
(2n + 1)!
n!( + 1/2)
M(n; + 3/2,
2
)
L
n
(x) = M(n, 1; x)
L
m
n
(x) = (1)
m
d
m
dx
m
L
n+m
(x) =
(n + m + 1)
(n + 1)(m + 1)
M(n, m+ 1; x)
erf(x) =
_
2x/
_
M(1/2, 3/2, x
2
), C(z) + iS(z) = zM(1/2, 3/2, z
2
/2) (B.43)
where H
m
are the associate or generalized Hermite polynomials.
B.3.5 Airy Function
It can be dened by the dierential equation
x = 0, t
2
Z
1/3
+ tZ
1/3
+
_
t
2
1
9
_
Z
1/3
= 0 (B.44)
where the changes of variables t = 2x
3/2
/3 and = t
1/3
Z
1/3
(t). Other properties are
(z) =
1
_
0
dt cos(t
3
/3 + zt)
(z) =
1
3
_
[z[
_
I
1/3
(2z
3/2
/3) I
1/3
(2z
3/2
/3) for z > 0
J
1/3
(2[z[
3/2
/3) + J
1/3
(2[z[
3/2
/3) for z < 0
(z)
1
2[z[
1/4
_
exp[2z
3/2
/3)] for z
2 sin[2[z[
3/2
/3 + /4] for z
_
0
()(
)dx = (E
E) (B.45)
B.3. SPECIAL FUNCTIONS 277
Its roots, (x
n
) = 0 can be approximated by the formula x
n
= [3(n 1/4)/2]
2/3
[3].
The roots of its rst derivative,
(y
n
) = 0 can be approximated by the formula y
n
= [3(n +
1/2)/4]
2/3
as it is shown in the following table
x
exact
n
x
approx.
n
y
exact
n
y
approx.
n
2.3381074 2.32 1.018793 1.115
4.087949 4.082 3.248198 3.261
5.5205598 5.517 4.820099 4.826
6.7867081 7.784 6.163307 6.167
7.94413365 7.942 7.372177 7.375
9.0226508 9.021 8.488487 8.49
10.040174 10.039 9.535449 9.537
Table: Roots of the Airy function and its rst derivative [3].
B.3.6 (z) and B(x, y) functions
These functions are dened as (Arfken 539)
(z) = (z 1)! =
(z + 1)
z
=
_
0
t
z1
e
t
dt, Re(z) > 0, B(x, y) =
(x)(y)
(x + y)
(B.46)
Several Series are asymptotic behavior
ln(z!) =
1
2
ln 2 +
_
z
1
2
_
ln z z +
B
2
2z
+
B
2n
2n(2n 1)z
2n+1
z! =
2 z
z+1/2
e
z
_
1 +
1
12z
+
1
288z
3
+
_
B(x >> y, y) = (y)x
y
(B.47)
B.3.7 Polylogarithmic functions
The Polylogarithmic functions (or Spence functions) are dened as [4]
Li
2
(z)
_
0
z
dt
log(1 t)
t
=
_
1
0
dt
log(1 zt)
t
=
_
log(1z)
0
tdt
e
t
1
Li
n
(z) =
k=1
z
k
/k
n
Li
2
(z) =
n=0
B
n
[log(1 z)]
n+1
(n + 1)!
(B.48)
278 APPENDIX B. MATH
where B
0
= 1, B
1
= 1/2, B
2
= 1/6, B
4
= 1/30, B
6
= 1/42, B
8
= 1/30, B
10
= 5/66,
B
12
= 691/2730, B
14
= 7/6, B
16
= 3617/510, B
18
= 43867/798, are the Bernoulli
numbers, that allow to compute the functions with an accuracy of 13 decimal places por n = 14.
Special values are Li
2
(1) =
2
/6, Li
2
(1) =
2
/12, Li
2
(1/2) =
2
/12 (1/2) log
2
(1/2),
Li
2
(0) = 0 and useful relations are
Li
2
(z) + Li
2
(z) =
1
2
Li
2
(z
2
)
Li
2
(z) + Li
2
(1/z) =
2
6
1
2
log
2
(z)
Li
2
(z) + Li
2
(1 z) =
2
6
log(z) log(1 z)
Li
2
(z) + Li
2
_
z
1 z
_
=
1
2
log
2
(1 z)
Li
2
_
x
1 x
y
1 y
_
= Li
2
_
x
1 y
_
+ Li
2
_
y
1 x
_
Li
2
(x) Li
2
(y) log(1 x) log(1 y)
Li
2
[x] + Li
2
[y] = Li
2
[xy] + Li
2
_
x
1 y
1 xy
_
+ Li
2
_
y
1 x
1 xy
_
log
_
1 x
1 xy
_
log
_
1 y
1 xy
_
(B.49)
The last one is the Abels equation and the one before it is the Landens functional equation.
B.3.8 Error, Fresnel and related functions
They are dened as (Abramowitz 295):
Erf(x) = (x) =
2
_
x
0
e
t
2
dt, Erfc(x) = 1 Erf(x)
C(x) = C
1
(
_
/2 x) =
_
x
0
cos(
_
/2 t
2
) dt,
S(x) = S
1
(
_
/2 x) =
_
x
0
sin(
_
/2 t
2
) dt, (B.50)
Several important properties are f(x) = f(x) for f=Erf, C and S. Special values are
Erf() = 2C() = 2S() = 1. The asymptotic behavior is
Erf(x) = 1
e
x
2
n1
k=0
(1)
k
(k + 1/2)
x
2k+1
+
e
x
2
R
n
(B.51)
with [R
n
[ < (n + 1/2)/[x[
2n+1
cos(/2)and < is the phase of x.
B.4. POLYNOMIALS 279
B.4 Polynomials
B.4.1 Legendre Polynomials and functions
Generation formula for Legendre Polynomials and its Rodrigues Formula (Abramowitz chap.
8, Arfken chap. 12)
1
(1 2xt + t
2
)
1/2
=
0
t
n
P
n
(x), for[t[ < 1 P
l
(x) =
1
2
l
l!
d
l
dx
l
(x
2
1)
l
(B.52)
with P
0
(x) = 1, P
1
(x) = x, P
2
(x) = (3x
2
1)/2, etc., , P
l
(1) = (1)
l
. Parity P
l
(x) =
(1)
l
P
l
(x). Orthogonality condition and recurrence relations are
_
1
1
P
n
(x)P
m
(x)dx =
2
2n + 1
nm
(2n + 1)xP
n
(x) = (n + 1)P
n+1
(x) + nP
n1
(x)
(1 x
2
)P
n
(x) = nP
n1
(x) nxP
n
(x)
(2l + 1)P
l
= P
l+1
P
l1
, (l + 1)P
l
= P
l+1
xP
l
(B.53)
The Legendre series is
f(x) =
n
a
n
P
n
(x), with a
m
=
2m + 1
2
_
1
1
f(x)P
n
(x)dx (B.54)
Special formulas are
(1 x) =
n=0
2
n+1
(n!)
2
(2n + 1)!
,
1
[r
1
r
2
[
=
1
r
>
n=0
_
r
<
r
>
_
n
P
n
(x)
e
ikrx
=
n=0
i
n
(2n + 1)j
n
(kr)P
n
(x),
_
1
1
x
m
P
n
(x)dx = 0 for m < n (B.55)
Legendre Functions of second kind
The can de dened as [4] 7.224, Atlas of functions p. 283
_
1
1
P
n
(x)
z x
dx 2Q
n
(z)
_
1
1
x
m
z x
P
n
(x)dx 2z
m
Q
m
(z), form n
_
1
1
x
n+1
z x
P
n
(x)dx 2z
n+1
Q
n
(z)
2
n+2
(n!)
2
(2n + 1)!
(B.56)
280 APPENDIX B. MATH
They satisfy the same recurrence relations of the Legendre polynomials in eq. (B.53), and
can be obtained by using the relation
Q
n
(x) =
1
2
P
n
(x) log
_
1 + x
1 x
_
2n 1
1 n
P
n1
(x)
2n 5
3 (n 1)
P
n3
(x)
Q
0
(x) =
1
2
log
_
1 + x
1 x
_
Q
1
(x) =
x
2
log
_
1 + x
1 x
_
1
Q
2
(x) =
3x
2
1
4
log
_
1 + x
1 x
_
3x
2
Q
3
(x) =
5x
3
3x
4
log
_
1 + x
1 x
_
5x
2
2
+
2
3
(B.57)
Special values are P
l
(1) = 1, P
2m+1
(0) = 0, P
2m
(0) =
(1)
m
4
2m
(a)
_
2m
m
_
Associated Legendre Polynomials and functions
One way to dene them is as solutions of the Associate Legendre equation, with singularities
at z = 1, (Abramowitz chap. 8)
(1 z
2
)
d
2
dz
2
y 2z
d
dz
y +
_
( + 1)
2
1 z
2
_
y = 0 (B.58)
The general solution can be written as y = AP
(z) + BQ
(z) with
P
(z) =
1
(1 )
_
z + 1
z 1
_
/2
F
_
, + 1, 1 ,
1
2
(1 z)
_
Q
(z) = e
i
2
+1
( + + 1)
( + 3/2)
(z
2
1)
/2
z
++1
_
z + 1
z 1
_
/2
F
_
1 +
+
2
,
1 + +
2
, +
3
2
,
1
z
2
_
(B.59)
If one has the boundary condition of niteness at z = 1 the solution is then P
m
l
(z), with
B = 0, = l = 0, 1, 2, . If besides (from uniqueness of the wavefunctions) = m =
l, l + 1, , l 1, l
P
m
l
(x) = (1 x
2
)
m/2
d
m
P
l
(x)
dx
m
=
(1 x
2
)
m/2
2
l
l!
d
l+m
(x
2
1)
l
dx
l+m
=
(1)
m
2
l
l!
(l + m)!
(l m)!
1
(1 x
2
)
m/2
d
lm
(x
2
1)
l
dx
lm
(2m)!(1 x
2
)
m/2
2
m
m!(1 2tx + t
2
)
m+1/2
=
i=0
P
m
i+m
(x)t
i
P
m
l
= (1)
m
(l m)!
(l + m)!
P
m
l
(x), P
m
l
(x) = (1)
l+m
P
m
l
(x), P
0
l
(x) = P
l
(x), P
m>l
l
(x) = 0
_
1
1
dxP
m
l
(x)P
m
l
(x) =
2
ll
2l + 1
(l + m)!
(l m)!
,
_
1
1
dx
1 x
2
P
m
l
(x)P
m
l
(x) =
(l + m)!
m(l m)!
mm
(B.60)
B.4. POLYNOMIALS 281
Merzbacher p. 3879 and Arfken 666. Several recurrence relations are (Arfken 699)
P
m+1
l
=
2mx
1 x
2
P
m
l
(l + m)(l m + 1)P
m1
l
(2l + 1)xP
m
l
= (l + m)P
m
l1
+ (l m + 1)P
m
l+1
(2l + 1)
1 x
2
P
m
l
= P
m+1
l+1
P
m+1
l1
= (l + m)(l + m1)P
m1
l1
(l m + 1)(l m + 2)P
m1
l+1
2
1 x
2
P
m
l
= P
m+1
l
(l + m)(l m + 1)P
m1
l
(B.61)
Special values
P
(0) =
2
cos
_
2
( + )
_
((1 + + )/2)
(1 + ( )/2)
Q
(0) =
2
1
sin
_
2
( + )
_
((1 + + )/2)
(1 + ( )/2)
(B.62)
Q
m
(z) = (z
2
1)
m/2
d
m
Q
(x)
dx
m
W [P
, Q
]
z=0
= 2
2
(1 + ( + )/2)((1 + + )/2)
(1 + ( )/2)((1 + )/2)
(B.63)
B.4.2 Spherical harmonics and Angular Momenta
Spherical Harmonics and Angular Momenta
L
z
= i
, L
= L
x
iL
y
= e
i
_
+ i cot
_
L
2
=
1
sin
2
2
+
1
sin
sin
=
1
2
(L
L
+
+ L
+
L
) L
2
z
= L
L
+
L
2
z
L
z
= L
+
L
L
2
z
+ L
z
(B.64)
The commutation relations are [L
+
, L
] = 2L
z
, [L
z
, L
] = L
and [L
z
, L
2
] = [L
, L
2
] = 0
L
2
Y
lm
= l(l + 1)Y
lm
, L
z
Y
lm
= mY
lm
, L
[l, m >=
_
(l m)(l m + 1)[l, m1 >
_
d Y
lm
( x)Y
l
m
( x) =
ll
mm
, Y
lm
(, ) =
_
2l + 1
4
(l m)!
(l + m)!
_
1/2
(1)
m
e
im
P
m
l
(cos )
Y
00
=
1
4
; Y
10
=
_
3
4
cos Y
11
=
_
3
8
e
i
sin ; Y
20
=
_
5
16
_
3 cos
2
1
_
Y
21
=
_
15
8
e
i
sin cos , Y
22
=
_
15
32
e
2i
sin
2
,
T
10
= V
z
T
1
=
1
2
(V
x
V y) (B.65)
282 APPENDIX B. MATH
Particular values are Y
lm
( = 0, ) =
_
(2l + 1)/4
m,0
, Y
l0
=
_
(2l + 1)/4 P
l
(cos ),
Y
lm
= (1)
m
Y
l,m
, Arfken p. 912.
P
l
(cos ) =
4
2l + 1
l
m=l
Y
lm
(
1
)Y
lm
(
2
)
e
ikr
= 4
l0
l
m=l
i
l
j
l
(kr)Y
lm
(
k)Y
lm
( r) (Brasden), e
ikz
=
l0
(2l + 1)i
l
j
l
(kr)P
l
(cos())
e
ikx

4[x
[
= ik
l0
j
l
(kr
<
)h
(1)
l
(kr
>
)
l
m=l
Y
lm
( x)Y
lm
(
),
1
4
1
[r
1
r
1
[
=
l0
l
m=l
1
2l + 1
r
l
<
r
l+1
>
Y
lm
(
1
)Y
lm
(
2
)
(3)
(r r
) =
1
r
2
(r
1
r
2
)(cos() cos(
))(
) =
1
r
2
(r r
l=0
l
m=l
Y
m
l
(, )Y
m
l
) (B.66)
In the case of Fourier transforms one has two useful identities (the rst one is the Parsevals
one):
_
d
3
p
(2)
3
[(p)[
2
=
_
d
3
x [(x)[
2
R
nl
(k) = 4(i)
l
_
dr r
2
R
nl
(r)j
l
(kr) (B.67)
where (r) = R
nl
(r)Y
lm
(r) and (k) = R
nl
(k)Y
lm
(
> D
(j)
(R) = exp[iJ ]
Y
lm
()
l
=l
Y
lm
(
)D
(l)
mm
() D
(l)
mm
(R) =
4
2l + 1
Y
lm
() (B.68)
B.4.3 Gegenbauer Polynomials
Generating Function
1
(1 2tx + x
2
)
n=0
C
n
(t)x
n
(B.69)
for axample: C
0
= 1, C
1
= 2t, C
2
= 2(+1)t
2
, C
3
= (/3)(4
2
+12+8)t
3
2(+1)t
. C
1
n
= U
n
C
1/2
n
= P
n
, C
n
P
1/2
+n1/2
?. Recurrence and Orthogonality relations are
B.4. POLYNOMIALS 283
(n + 2)C
n+2
(t) = 2( + n + 1)tC
n+1
(2 + n)C
n
(t)
nC
n
= (2 + n 1)tC
n1
2(1 t
2
)C
+1
n2
nC
n
= 2
_
tC
+1
n1
C
+1
n2
(2 + n)C
n
= 2
_
C
+1
n
tC
+1
n1
d
k
dt
k
C
n
= 2
k
( + k)
()
C
+k
nk
_
1
1
dt(1 t
2
)
1/2
C
n
(t)C
m
(t) =
2
12
(2 + n)
n!(n + )[()]
2
nm
(B.70)
They satisfy the dierential equation
(1 x
2
)
d
2
dx
2
C
n
(2 + 1)x
d
dx
C
n
+ n(n + 2)C
n
= 0 (B.71)
Summation Theorem
C
n
[cos cos + sin sin cos ] =
(2 1)
[()]
2
n
k=0
2
2k
(n k)![( + k)]
2
(2 + n + k)
(2 + 2k 1)
sin
k
sin
k
C
+k
nk
(cos ) C
+k
nk
(cos ) C
1/2
k
(cos ) (B.72)
Spherical Harmonics in the 4th dimensional space (d
4
= sin
2
3
d
3
sin
2
d
2
d
1
, 0
2,3
and 0
1
2 ) are
[nlm > =
_
2
2l+1
(n + 1)(n l)!(l!)
2
(n + l + 1)!
_
1/2
sin
l
(
3
)C
l+1
nl
(cos
3
)Y
lm
(
2
, ) (B.73)
Special values
C
n
(1) =
_
2 + n 1
n
_
(B.74)
B.4.4 Chebyshev Polynomials
The Chebyshev polynomials satisfy the recurrence relations (T
0
= 1, T
1
= x, T
2
= 1 + 2x
2
)
(Schaum p. 151, Abramowicz p. 820)[4]
284 APPENDIX B. MATH
2xT
n
(x) = T
n+1
(x) + T
n1
(x)
2T
n
(x)T
m
(x) = T
n+m
(x) + T
nm
(x)
(1 x
2
)T
n
= nxT
n
+ T
n1
(1 x
2
)U
n
= xT
n+1
T
n+2
T
n
(x) = cos(ncos
1
x)
U
n
(x) =
sin((n + 1) cos
1
x)
sin(cos
1
x)
(B.75)
so (1 t
2
)U
n
= (T
n
T
n+2
)/2. The orthogonality conditions are
_
1
1
T
n
(x)T
m
(x)d x
1
1 x
2
=
_
_
0, if m ,= n
/2 if n = m ,= 0
if m = n = 0
(B.76)
Their dierential equation
(1 x
2
)T
n
xT
n
+ n
2
T
n
= 0
(1 x
2
)U
n
3xU
n
+ n(n + 1)T
n
= 0 (B.77)
Other useful formulas are
1
1 2tx + x
2
=
m0
x
n
U
n
(t), [x[, [t[ < 1
1 x
2
1 2tx + x
2
= T
0
(t) + 2
n=1
x
n
T
n
(t), [x[, [t[ < 1
_
1
1
T
n
(x)
x y
d x
1 x
2
= U
n1
(y),
_
1
1
U
n
(x)
x y
d x
1 x
2
= T
n+1
(y) (B.78)
The last two formulas are from Gradshteyn p. 1229 in [4]
B.4.5 Laguerre Polynomials
They satisfy the dierential eq.
xy
+ (1 x)y
+ ny = 0 (B.79)
B.4. POLYNOMIALS 285
Generating function (Use Arfken convention!)
exp[xt/(1 t)]
1 t
=
n=0
t
n
L
n
(x)
n!
, L
n
(x) =
e
x
n!
d
n
dx
n
x
n
e
x
= F(n, 1, x) (B.80)
The Laguerre polynomials can be obtained with the recurrence relations (L
0
= 1, L
1
= 1x,
2!L
2
= 2 4x + x
2
, 3!L
3
= x
3
+ 9x
2
18x + 6) (Schaum p. 151, Abramowicz p. 820)[4]
(n + 1)L
n+1
(x) = (2n x + 1)L
n
(x) nL
n1
(x) L
n+1
(x) = 2L
n
L
n1
1
n + 1
[(1 + x)L
n
L
n1
]
xL
n
(x) = nL
n
(x) n
2
L
n1
(x),
_
0
dx e
x
L
n
(x)L
m
(x) =
nm
(B.81)
other relations (L
n
(0) = 1)
_
0
x
p
e
x
L
n
(x)dx =
_
0 if p < n
(1)
n
(n!)
2
ifp = n
(B.82)
Associated Laguerre Polynomials
They satisfy the dierential equation, etc (Arfken 755).
xy
+ (k + 1 x)y
+ ny = 0
L
k
n
(x) = (1)
k
d
k
dx
k
L
n+k
(x) =
n
m=0
(1)
m
(n + k)!
(n k)!(k + m)!m!
x
m
=
(n + k)!
n!k!
F(n, k + 1, x)
1
(1 z)
k+1
e
xz/(1z)
=
m=0
L
k
n
(x)z
n
(B.83)
and obey the recurrence relations (Arfken 726)
(n + 1)L
k
n+1
(x) = (2n + k + 1 x)L
k
n
(x) (n + k)L
k
n1
(x), xL
k
n
(x) = nL
k
n
(x) (n + k)L
k
n1
(x)
_
0
dx e
x
x
k
L
k
n
(x)L
k
m
(x) =
(n + k)!
n!
nm
,
_
0
dx e
x
x
k+1
_
L
k
n
(x)
2
=
(n + k)!
n!
(2n + k + 1)(B.84)
Several examples are
L
k
0
(x) = 1, L
k
1
(x) = k + 1 x, L
k
2
(x) = (k + 2)(k + 1)/2 (k + 2)x + x
2
/2
L
k
3
(x) = 2 + x + (3 3x + x
2
/2)(6 x)/3 (B.85)
other relations (L
k
n
(0) = (n + k)!/n!k!, L
k+1
n
= L
k
n
L
k
n1
?)
286 APPENDIX B. MATH
B.4.6 Hermite Polynomials
Generating function
G(, s) = exp[s
2
+ 2s] =
n=0
H
n
()
n!
s
n
, H
n
(x) = (1)
n
e
x
2 d
n
dx
n
e
x
2
(B.86)
The Hermite polynomials (used 1D Harmonic oscillator 1.4) can be obtained with the re
currence relations (H
0
= 1, H
1
= 2x, H
2
= 2 + 4x
2
, H
3
= 12x + 8x
3
) (Schaum p. 151,
Abramowicz p. 820)[4]
H
n+1
(x) = 2xH
n
(x) 2nH
n1
(x), H
n
(x) = 2nH
n1
(x)
_
dx e
x
2
H
n
(x)H
m
(x) = 2
n
n!
nm (B.87)
They satisfy the dierential eq.
H
n
2xH
n
+ 2nH
n
= 0 (B.88)
other relations (Arfken 755)
H
2n
(x) = (1)
n
(2n)!
n!
F(n, 1/2, x
2
), H
2n+1
(x) = (1)
n
2
(2n + 1)!
n!
xF(n, 3/2, x
2
)
H
n+2
(0) = 2(n + 1)H
n
(0) = (2)
n
(2n 1)!!, H
2n+1
(0) = 0 (B.89)
The Associate or generalized Hermite polynomials (used in the Isotropic harmonic oscillator
2.3.4 cas) are dened as (with H
=0
n
= H
n
)
H
2n
(x) = (1)
n
(2n)!
n!
F(n, +
1
2
, x
2
), H
2n+1
(x) = (1)
n
(2n + 1)!
n!( + 1/2)
xF(n, +
3
2
, x
2
) (B.90)
B.5 Numerical Analysis
Finding Roots [4]
x
i+1
= x
i
f(x
i
)
x
i
x
i1
f(x
i
) f(x
i1
)
(B.91)
Derivation (y
i
= y(x
i
) and x
i
= x
1
+ h(i 1)) :
B.5. NUMERICAL ANALYSIS 287
y
(x
1
) =
y
2
y
0
2h
=
1
h
2
[2y
1
5y
2
+ 4y
3
y
4
]
y
(x
1
) =
1
6h
[11y
1
+ 18y
2
9y
3
+ 2y
4
] (B.92)
Integrals
I =
_
b
a
dxf(x) = h[f
0
/2 + f
1
+ f
2
+ + f
N1
+ f
N
/2] N
h
3
12
f
() Trapezoidal
I =
_
b
a
dxf(x) =
h
3
[f
0
+ 4f
1
+ 2f
2
+ + 4f
N1
+ f
N
] N
h
5
90
f
(4)
() Simpson, Neven (B.93)
In the case of the trapezoidal rule for two dierent intervals, h = (b a)/N (N steps) and
2h (N/2 steps) the integral is
I = I
h
+ kh
3
N = I
2h
+ k(2h)
3
(N/2) = I
2h
+ 4kh
3
N = I
2h
+ f (B.94)
with k an unknown constant and I
h
= h[f
0
/2 + f
1
+ f
2
+ + f
N1
+ f
N
/2]. Solving the
two equations for the integral and the error one obtains
I = (4I
h
I
2h
)/3, f (I
h
I
2h
)/3 (B.95)
Simple Montecarlo give us for the integral and for the error (in Ndimentions)
I =
_
V
dV f = V < f > V
_
< f
2
> < f >
2
N
(B.96)
with < f >= (1/N)
N
i=1
f(x
i
) and < f
2
>= (1/N)
N
i=1
f
2
(x
i
), and x
i
are random number
uniformly distributed inside the volume V .
B.5.1 Gaussian Integration
Numerical Recipes Chap. 4 in [4]
GaussLegendre Integration
Polynomial interpolation and Gauss integration formulas are
f(x) =
n
i=1
f(x
i
)L
i
(x)
_
1
1
f(x)dx =
n
i=1
w
i
f(x
i
) (B.97)
with P
n
(x
i
) = 0, the n? roots, and w
i
= 2/nP
n
(x
i
)P
n1
(x
i
) = 2(1 x
2
i
)/[nP
n1
(x
i
)]
2
.
288 APPENDIX B. MATH
Roots and weights for GaussChebyshev Integration
The GaussChebyshev formula [4]
_
1
1
f(x)dx
1 x
2
i=1
w
i
f(x
i
) +
2
2
2n
(2n)!
f
(2n)
( (1, 1)) (B.98)
with T
n
(x
i
) = 0 and w
i
the weights are
x
i
= cos
_
(i 1/2)
n
_
, i = 1, , n; w
i
=
n
(B.99)
with T
N
(x
Nk
) = 0, x
Nk
= cos[(k 1/2)/N]. The Chebyshev approximation formula is
(Numerical Recipes section 5.9 [4])
f(x) =
1
2
c
1
+
N
k=1
c
k
T
k1
(x) x [1, 1]
c
j
=
2
N
N
k=1
f(x
Nk
)T
j1
(x
Nk
) =
2
N
N
k=1
f
_
cos
_
k
1
2
_
N
_
cos
_
(j 1)
_
k
1
2
_
N
_
c
i
=
c
i1
c
i+1
2(i 1)
, i > 1, c
i1
= c
i+1
+ 2(i 1)c
i
, i = n, n 1, 2, c
n
= c
n+1
= 0 (B.100)
Once the expansion coecients, for a given function are known those of its integral and
derivative can be obtained by using these recurrence relations. The integration constant is c
1
The Economized power series is
f(x) =
a
0
2
+
k=1
a
i
T
i
(x)
a
i
=
2
_
1
1
f(x)T
i
(x)
dx
1 x
2
(B.101)
Roots and weights for GaussLaguerre Integration
Table 25.9 of M. Abramowicz in ref. [4]
_
0
e
x
f(x)dx
n
i=1
w
i
f(x
i
) +
[(n + 1)!]
2
(2n + 2)!
f
(2n+2)
( (0, ))
_
0
g(x)dx w
i
e
x
i
g(x
i
) (B.102)
with L
n
(x
i
) = 0, (the Zeros of Laguerre Polynomials) and w
i
the weight Factors.
B.5. NUMERICAL ANALYSIS 289
w
i
=
(n!)
2
x
i
[L
n+1
(x
i
)]
2
=
(n!)
2
x
i
(n + 1)
2
[L
n+1
(x
i
)]
2
(B.103)
An approximate formulas for the roots are [4]:
x
1
=
(1 + )(3 + 0.92)
1 + 2.4n + 1.8
, x
2
= x
1
+
15 + 6.25
1 + 0.9 + 2.5n
x
k+2
= x
k+1
+
x
k+1
x
k
1 + 0.3
_
1 + 2.55k
1.9k
+
1.26k
1 + 3.5k
_
, k = 1, 2, n 2 (B.104)
290 APPENDIX B. MATH
x
i
w
i
w
i
e
x
i
x
i
w
i
w
i
e
x
i
n = 2 n = 9
0.585786437627 (1)8.53553390593 1.53332603312 0.152322227732 (1)3.36126421798 0.391431124316
3.414213562373 (1)1.46446609407 4.45095733505 0.807220022742 (1)4.11213980424 0.921805028529
2.005135155619 (1)1.99287525371 1.48012790994
n = 3 3.783473973331 (2)4.74605627657 2.08677080755
0.415774556783 (1)7.11093009929 1.07769285927 6.204956777877 (3)5.59962661079 2.77292138971
2.294280360279 (1)2.78517733569 2.76214296190 9.372985251688 (4)3.05249767093 3.59162606809
6.289945082937 (2)1.03892565016 5.60109462543 13.466236911092 (6)6.59212302608 4.64876600214
18.833597788992 (8)4.11076933035 6.21227541975
n = 4 26.374071890927 (11)3.29087403035 9.36321823771
0.322547689619 (1)6.03154104342 0.832739123838
1.745761101158 (1)3.57418692438 2.04810243845 n = 10
4.536620296921 (2)3.88879085150 3.63114630582 0.137793470540 (1)3.08441115765 0.354009738607
9.395070912301 (4)5.39294705561 6.48714508441 0.729454549503 (1)4.01119929155 0.831902301044
1.808342901740 (1)2.18068287612 1.33028856175
n = 5 3.401433697855 (2)6.20874560987 1.86306390311
0.263560319718 (1)5.21755610583 0.679094042208 5.552496140064 (3)9.50151697518 2.45025555808
1.413403059107 (1)3.98666811083 1.63848787360 8.330152746764 (4)7.53008388588 3.12276415514
3.596425771041 (2)7.59424496817 2.76944324237 11.843785837900 (5)2.82592334960 3.93415269556
7.085810005859 (3)3.61175867992 4.31565690092 16.279257831378 (7)4.24931398496 4.99241487219
12.640800844276 (5)2.33699723858 7.21918635435 21.996585811981 (9)1.83956482398 6.57220248513
29.920697012274 (13)9.91182721961 9.78469584037
n = 6
0.222846604179 (1)4.58964673950 0.573535507423 n = 12
1.188932101673 (1)4.17000830772 1.36925259071 0.115722117358 (1)2.64731371055 0.297209636044
2.992736326059 (1)1.13373382074 2.26068459338 0.611757484515 (1)3.77759275873 0.696462980431
5.7751435691 (2)1.03991974531 3.35052458236 1.512610269776 (1)2.44082011320 1.10778139462
9.837467418383 (4)2.61017202815 4.88682680021 2.833751337744 (2)9.04492222117 1.53846423904
15.982873980602 (7)8.98547906430 7.84901594560 4.599227639418 (2)2.01023811546 1.99832760627
6.844525453115 (3)2.66397354187 2.50074576910
n = 7 9.621316842457 (4)2.03231592663 3.06532151828
0.193043676560 (1)4.09318951701 0.496477597540 13.006054993306 (6)8.36505585682 3.72328911078
1.026664895339 (1)4.21831277862 1.17764306086 17.116855187462 (7)1.66849387654 4.52981402998
2.567876744951 (1)1.47126348658 1.91824978166 22.151090379397 (9)1.34239103052 5.59725846184
4.900353084526 (2)2.06335144687 2.77184863623 28.487967250984 (12)3.06160163504 7.21299546093
8.182153444563 (3)1.07401014328 3.84124912249 37.099121044467 (16)8.14807746743 10.5438374619
12.734180291798 (5)1.58654643486 5.38067820792
19.395727862263 (8)3.17031547900 8.40543248683 n = 15
0.093307812017 (1)2.18234885940 0.239578170311
n = 8 0.492691740302 (1)3.42210177923 0.560100842793
0.170279632305 (1)3.69188589342 0.437723410493 1.215595412071 (1)2.63027577942 0.887008262919
0.903701776799 (1)4.18786780814 1.03386934767 2.269949526204 (1)1.26425818106 1.22366440215
2.251086629866 (1)1.75794986637 1.66970976566 3.667622721751 (2)4.02068649210 1.57444872163
4.266700170288 (2)3.33434922612 2.37692470176 5.425336627414 (3)8.56387780361 1.94475197653
7.045905402393 (3)2.79453623523 3.20854091335 7.565916226613 (3)1.21243614721 2.34150205664
10.758516010181 (5)9.07650877336 4.26857551083 10.120228568019 (4)1.11674392344 2.7740492683
15.740678641278 (7)8.48574671627 5.81808336867 13.130282482176 (6)6.45992676202 3.25564334640
22.863131736889 (9)1.04800117487 8.90622621529 16.654407708330 (7)2.22631690710 3.80631171423
20.776478899449 (9)4.22743038498 4.45847775384
25.623894226729 (11)3.92189726704 5.27001778443
31.407519169754 (13)1.45651526407 6.35956346973
38.530683306486 (16)1.48302705111 8.03178763212
48.026085572686 (20)1.60059490621 11.5277721009
(B.105)
B.5. NUMERICAL ANALYSIS 291
Compiled from H. E. Salzer and R. Zucker, Table of the zeros and weight factors of the rst
fteen Laguerre polynomials, Bull. Amer. Math. Soc. 55, 10041012, 1949 (with permission).
NUMERICAL ANALYSIS p. 923
B.5.2 Singular integrals
In the case of
_
1
1
f(x)
x s
dx =
_
1
1
f(x)
1 x
2
x s
dx
1 x
2
=
_
1
1
g(x)
x s
dx
1 x
2
=
_
1
1
n
k=1
c
k
T
k1
(x) c
1
/2
x s
dx
1 x
2
=
n
k=1
c
k
U
k2
(s) (B.106)
where the c
k
come from the expansion of g(x) = f(x)
1 x
2
. An equivalent formula can
be obtained by using the Legendre polynomials expansion. Alternative methods are know as
the Hunters formula (See the ebook: Kramer and Wedmer, Computing in for cauchy principal
value integral): Knowing the weights of the numerator function, one can obtain those of the
singular integral
_
1
1
f(x) dx =
i
w
i
f(x
i
)
_
1
1
f(x)
x s
dx =
i
w
i
f(x
i
), w
i
(s) =
_
Q(s)/P
n
(s), i = 0
w
i
/(x
i
s), i = 1, n
(B.107)
Alternative, from M. Jensen, Computational Physics, p. 134
_
s+
s
f(x)
x s
dx =
_
1
1
f(s + t)
t
dt =
_
1
1
f(s + t) f(s)
t
dt
1
3
f
(s)
2
+O(
3
) (B.108)
where t = (xs)/, and
_
1
1
dt/t = 0. Now the last integral is not singular!. The numerical
integral has to take an even number of steps in order to avoid the point t = 0. Additionally,
it may be practical to replace the integrand in the last expression for the derivative (or better
by the Taylor expansion), if for example an analytical expression for f is known. Similarly
(Landau and Paez p. 243)
_
0
f(k)
k
2
k
2
0
dk =
_
0
f(k) f(k
0
)
k
2
k
2
0
dk,
_
dk
k k
0
=
_
0
dk
k
2
k
2
0
= 0 (B.109)
292 APPENDIX B. MATH
B.5.3 Fitting data
Fitting n data y
i
i
data, with a function f(a, x) of n
p
parameters. It requires to minimize
the function
2
=
_
f(a, x
i
) y
i
i
_
2
2
a
= 0 (B.110)
To have a good t n n
p
The error in the parameters can be as [4]
a
=
a
y
y +
a
x
x
2
ya
= 0 =
2
2
aa
a
y
+
2
2
ya
(B.111)
the can be solved for a/y
B.6. MATH EXERCISES 293
B.6 Math exercises
1.
_
b
a
f(x)dx =
b a
2
_
1
1
f(x(t))dt
x =
b a
2
t +
b + a
2
(B.112)
2.
_
b
a
dx
_
f
b
(x)
fa(x)
dyf(x, y) =
_
b
a
dx
f
b
(x) f
a
(x)
2
_
1
1
f(x, y(t))dt
y(t) =
f
b
(x) f
a
(x)
2
t +
f
b
(x) + f
a
(x)
2
(B.113)