Quantum Mechanics

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, fibre-optics, digital cameras, photocopiers, bar-
code readers, fluorescent lights, LED lights, computer screens, transistors, semi-
conductors, super-conductors, 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 (1-D) 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 effects) . . . . . . . . . . . . . . 29
1.3.4 Infinite Potential Well . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
1.3.5 Finite Potential Well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34
1.4 Harmonic oscillator (1-D) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36
1.5 Exercises, Schr¨ odinger Equation (1-D) . . . . . . . . . . . . . . . . . . . . . . . 39
1.5.1 Matter waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
1.5.2 Other wells and steps . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
1.5.3 Infinite 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 (3-D) . . . . . . . . . . . . . . . . . . . . . . . 64
2.2.2 Particle in a perfect box . . . . . . . . . . . . . . . . . . . . . . . . . . . 64
2.2.3 Anisotropic Harmonic oscillator (3-D) . . . . . . . . . . . . . . . . . . . . 64
2.2.4 Particle in a Magnetic Field . . . . . . . . . . . . . . . . . . . . . . . . . 65
2.3 Central Potentials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
2.3.1 Spherical Waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
2.3.2 Infinite 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 Clebsch-Gordan Coefficients . . . . . . . . . . . . . . . . . . . . . . . . . 129
4.3.2 Wigner-Eckart Theorem . . . . . . . . . . . . . . . . . . . . . . . . . . . 132
4.4 Aplications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133
4.4.1 Raman Spectroscopy (Molecular Rotation) . . . . . . . . . . . . . . . . . 133
4.4.2 Stern-Gerlach Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . 136
4.4.3 Pauli Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138
4.4.4 Magnetic dipoles in magnetic fields . . . . . . . . . . . . . . . . . . . . . 139
4.4.5 Paramagnetic Resonance . . . . . . . . . . . . . . . . . . . . . . . . . . . 141
4.4.6 NRM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143
4.4.7 Electron-Spin 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 (Rayleigh-Schr¨ 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 Bohr-Sommerfeld 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 (non-degenerate 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 Bohr-Sommerfeld 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 (Zα)
2
. . . . . . . . . . . . . . . . . . . 193
6.1.3 Case m
2
> m
1
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 195
6.1.4 Lamb-Retherford shift at order α(Zα)
2
. . . . . . . . . . . . . . . . . . . 198
6.1.5 Case m
2
= m
1
= m . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 202
6.2 Hydrogenic atoms in external fields . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.2.1 Zeeman effect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.2.2 Paschen-Back effect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 207
6.2.3 Stark effect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 Born-Oppenheimer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.2 Electronic Spectra . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
6.4.3 Roto-vibrational 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 Lamb-Retherford . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 219
6.5.5 Hyperfine structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220
6.5.6 Zeeman and Stark effects . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 Half-life and line width. Photoelectric effect . . . . . . . . . . . . . . . . 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 Fermi’s Golden Rule . . . . . . . . . . . . . . . . 247
8.3 Partial Waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248
8.3.1 Partial waves decomposition . . . . . . . . . . . . . . . . . . . . . . . . . 248
8.3.2 Calculation of δ
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 1-D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.5.2 Resonances: case of finite well . . . . . . . . . . . . . . . . . . . . . . . . 254
8.5.3 Breit-Wigner parametrization . . . . . . . . . . . . . . . . . . . . . . . . 254
8.6 Spin effects. Identical particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.7 Inelasticity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.7.1 Optical Theorem . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.8 S-Matrix properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.9 Lippman-Schwinger Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.10 Approximate Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 254
8.11 Scattering Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 255
8.11.1 Born’s 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 1-D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 262
A.3 Useful formulae 3-D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 Dirac’s 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 Confluent Hypergeometric functions . . . . . . . . . . . . . . . . . . . . 275
B.3.5 Airy Function . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 276
B.3.6 Γ(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 Hyperfine splitting for hydrogen and other elements. . . . . . . . . . . . . . . . . 201
6.6 Ps transitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 204
6.7 Normal Zeeman effect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 diffraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
1.5 De Broglie waves versus particle . . . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.6 Time evolution of a wavepacket. . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.7 : Transmission and reflection coefficients for the rectangular potential step . . . 29
1.8 Transmission and reflection coefficients for the rectangular potential barrier.
Ramsauer and Tunnel effect . 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. semi-infinite
well. Symmetric finite well. Odd and even wave function. Two semi-harmonic
oscillator well. Dirac’s comb. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42
1.13 Finite well roots . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
2.1 ‘Perfect’ spherical bag spectra 2µa
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)ω, with n
2S+1
L
J
. . . . 72
2.4 Hydrogenic atoms spectra 2E
nl
/µ(Zα)
2
. . . . . . . . . . . . . . . . . . . . . . . 74
3.1 Quamtum jumps [Bell]. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99
3.2 Bell inequalities violation [Bell]. . . . . . . . . . . . . . . . . . . . . . . . . . . . 105
4.1 An infinitesimal rotation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120
4.2 Clebsh-Gordan coefficients. Taken from PDG at wwww.lbl.gov . . . . . . . . . . 131
4.3 Raman spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134
4.4 Stern-Gerlach experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137
4.5 NRM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144
5.1 Figures for the Perturbation theory . . . . . . . . . . . . . . . . . . . . . . . . . 163
5.2 Geiger-Nuttal 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 Bohr’s,
Fine structure, Lamb shift, hyperfine energy approximations. n
2S+1
L
J
. . . . . . 197
6.2 H
α
fine and Lamb Shift . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 198
6.3 Positronium and Bottonium energy levels comparison. Notice the energies in-
volved. n
2S+1
L
J
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 205
8.1 sorted cross sections . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 240
8.2 Rutherford cross section . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 246
8.3 Proton Form factor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 247
8.4 Partial wave phases π −π . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 249
Chapter 1
Schr¨ odinger Equation (1-D)
1.1 Introduction
1.1.1 Importance
Quantum Mechanics has been the base of many developments and applications in Physics and
in the Industry in the XX century.
1. Basic science: The Standard Model of elementary particles (involving 3 of the 4 known
interactions: Electromagnetic, Weak and Strong) is based in Quantum Mechanics. The
other interaction, the gravity we know is not complete because nobody has been able to
obtain a consistent theory of Quantum Gravity. Even ‘exotic’ theories like SUSY, GUT,
Superstrings and so on involve QM.
2. At the moment all the experiments realized are consistent with QM predictions (including
the Bohr’s interpretations). In many case with very high accuracy like in Quantum
Electrodynamics with Quantum Optics, maybe the better known fields or all sciences.
3. Quantum Mechanics (together with Electromagnetism, Statistical Mechanics, etc.) is the
basic theory for many areas in Physics and Science. Such is the case of Condensed Matter,
Atomics and Molecular Physics, Chemistry, Materials Science, Nuclear Physics, Particle
Physics, Optics and many more.
4. Many inventions have been possible thanks to Quantum Mechanics, like Lasers, Comput-
ers (transistors, integrated circuits), advances in communications, new materials and so
on.
1.1.2 History
A short review of the most important developments related to Quantum Mechanics may be like
[QM history]:
13
14 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)























Figure 1.1: Old phenomenology, unexplained by Classical Physics: discrete spectra, black body
radiation laws, photoelectric effect
1. -480 Pythagoras discover the law for vibrating strings, involving integer numbers. Vi-
brating frequencies are quantized!.
2. -420 Zeno of Elea enunciates his paradoxes, involving irrational numbers. The continuous.
3. 1678 Huygen’s Principle.
4. 1666 Newton discover spectra. He postulated that light is composed by particles of
different size: smaller the violet and larger the red. This is why blue light is easily
refracted [Optiks 1704, Query 29]
5. 1752 T. Melvill observed by the first time spectral lines.
6. 1802 W. Wollaston discovers dark lines in the solar spectra.
7. 1803 Dalton introduces the atomic hypothesis to explain the proportionality law of chem-
ical reactions.
8. 1814 Fraunhofer discovers dark lines in the solar spectra and study them.
9. 1815, circa. P. Laplace (1749-1827): ‘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’
1.1. INTRODUCTION 15
10. 1835, Auguste Comte, the French philosopher and founder of sociology, said of the stars:
We shall never be able to study, by any method, their chemical composition or their
mineralogical structure... Our positive knowledge of stars is necessarily limited to their
geometric and mechanical phenomena
11. 1860-s Chemists (Gay Lussac, Avogadro, Canizzaro, etc.) adopt the atomic hypothesis
12. 1859 G. Kirchhoff discovers its black body radiation formula. He and Bunsen enounced
the principle that spectra is the ‘fingerprint’ of each element. Same spectra in the stars
(sun) and in the lab.
13. 1868-70 Mendeleiev Periodic Table.
14. 1879 J. Stefan, 1884 L. Boltzmann find the so called Stefan-Boltzmann black body radi-
ation formula.
15. 1885 J. Balmer, discover his mathematical formula for hydrogen. J. Rydberg 1888, Ritz,
etc. extended it. Pickering starts the stelar spectroscopy.
16. 1886-7 H. Hertz discovers the photoelectric effect.
17. 1868 Helium is discovered (Janssen, Lockyer, Palmieri, Ramsay) in the sun.
18. 1896 W. Wein discovers his law, that fails for short wavelenghts. X-rays (R¨ otger), Ra-
dioactivity (Curie-Bequerel)
19. 1897 e

is discovered by J. J. Thomson. Atomic structure (hypothesis) (Thomson): ‘plum
pudding’ atomic Model. Zeeman effect.
20. 1894-1900. Classical Physics:
(a) L. Kelvin at speech British Association for the Advancement of Science 1900: ‘There
is nothing new to be discovered now. All that remains is more and more precise
measurement’.
(b) On 27th April 1900, Lord Kelvin gave a lecture to the Royal Institution of Great
Britain. The title of the lecture was ‘Nineteenth-Century Clouds over the Dynam-
ical Theory of Heat and Light’. Kelvin mentioned, in his characteristic way, that
the ‘beauty and clearness of theory was overshadowed by ‘two clouds’. He was talk-
ing about the null result of the Michelson-Morley experiment and the problems of
blackbody radiation.
(c) Mechanics and EM. 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 firmly 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’. A. Michelson and ‘Light waves and their
uses 1903.
16 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
21. 1900 Quantum Mechanics (Planck), . By combining the formulae of Wien and Rayleigh,
Planck announced in October 1900 a formula now known as Planck’s radiation formula.
Within two months Planck made a complete theoretical deduction of his formula re-
nouncing classical physics and introducing the quanta of energy. On 14 December 1900
he presented his theoretical explanation involving quanta of energy at a meeting of the
Physikalische Gesellschaft in Berlin. In doing so he had to reject his belief that the second
law of thermodynamics was an absolute law of nature, and accept Boltzmann’s interpre-
tation that it was a statistical law. In a letter written a year later Planck described
proposing the theoretical interpretation of the radiation formula saying: ‘... the whole
procedure was an act of despair because a theoretical interpretation had to be found at
any price, no matter how high that might be’.
22. 1901 Radioactive decays are founded to be of statistical nature.
23. 1905 Relativity and Photoelectric effect (Einstein), again.
24. 1909 G. Taylor. Double slit experiment with photons. Statistical (QM) behavior
25. 1911 Atomic Structure (Rutherford). Nucleus and electrons .
26. 1911 H. Onnes in Leiden discover superconductivity, and superfluidity. Like ferromag-
netism are macroscopic quantum phenomena [BEC].
27. 1913 Quantum Mechanics applied to atomic spectra (Bohr), still the same !. Stark
discovers his effect.
28. 1914 Frank-Hertz experiment.
29. 1917 Einstein talks about the statistical nature of the direction at which photons are
emitted spontaneously .
30. 1918 Quantum Mechanics and Relativity applied to atomic spectra (Sommerfeld).
31. 1920 Ramsauer effect, discovered by Ramsauer and Townsend.
32. 1923 Matter waves (De Broglie)[6]. Compton discovers the ‘photon’.
33. 1924 Bose-Einstein statistics and Identical particles.
34. 1925 S. Goudsmit and U. Uhlenbeck propose spin-polarization .
35. 1926 Quantum Mechanics Dynamics (Schr¨odinger and Heisenberg ). Semiclassical ra-
diation theory (Heisenberg). Statistical nature of the wave function : ‘determinism of
classical physics turns out to be an illusion, created by overrating mathematico-logical
concepts. It is an idol, not an ideal in scientific research and cannot, therefore, be used
as an objection to the essentially indeterministic statistical interpretation of quantum
mechanics’ (M. Born at the Nobel Speech in 1954).
1.1. INTRODUCTION 17










Figure 1.2: Quantum Mechanics hagiography: Plank, Einstein, Bohr, Sommerfeld, De Broglie,
Schr¨ odinger, Heisenberg, Born, Compton, Dirac, Feynman, etc
36. 1927 e

-wave : Davisson-Germer and G. Thomson 30-s. Heisenbeg’s uncertainty principle
. EM quantization : Dirac, Heisenberg ; Pauli, Jordan, etc. Explanation of Spontaneous
emission by QFT .
37. 1928 Theoretical (tunnel effect ) explanation of the α decay (Strong Interactions ).
Gamow, Condon and Guney.
38. 1931 E. Ruska and M. Kroll. First Transmission Electron Microscope (TEM).
39. 1930-s Bohr-Einstein debate on the Quantum Mechanics Interpretation.
40. 1932 Dirac Equation : QM, Relativity Spin and Classical EM. It predicts antimatter . J.
von Neumann develops the mathematical framework of Quantum Mechanics.
41. 1933 Anderson discovers pair production and the positron : γ →e

e
+
42. 1934 Fermi, first QFT of Weak Interactions .
43. 1935 Yukawa , first QFT of Strong Interactions.
44. 1947 Transistor . Bardeen, Brattain.
45. 1949 Lamb-Retherford experiment. EM fields are quantized too.
46. 1954 C. Townes and A. Schawlow invented the maser
47. 1950-s QED Theory by Tomonaga, Feynmann, Schwinger, etc. to explain the Lamb-
Retherford experiment. Quantum Field Theory. Renormalization.
18 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
48. 1958. J. Kilby. Integrated circuits. Lasers, C. Townes and A. Schawlow
49. 1961 J¨ onson two slits experiment with electrons.
50. 1963 Feynman on two slits experiment: ‘We choose to examine a phenomenon which is
impossible, absolutely impossible, to explain in any classical way, and which has in it the
heart of quantum mechanics. In reality, it contains the only mystery. We cannot make
the mystery go away by explaining how it works . . . In telling you how it works we will
have told you about the basic peculiarities of all quantum mechanics’.
51. 1968-73 Weinberg-Salam Model: Weak interactions theory, QM, EM and Relativity
52. 1974 QCD. Quantum Chromodynamics: Strong Interactions, QM and Relativity.
53. 1981 STM (Scanning Tunneling Microscope). G. Binnig and H. Rohrer. Experimental
test of Bell inequalities (A. Aspect), favorable to Bohr’s interpretation.
54. 1995 BEC (Bose-Einstein condensate). E. Cornell, W. Ketterle and C. Wieman [BEC].
1.1.3 Natural Units
1. In this notes I’m going to use ‘Natural Units’, that’s it = c = 1.
2. Thus the fundamental units can be taken as energy and electric charge.
3. [T] = [L] = eV
−1
. Space and time have the same units (Relativity)
4. [E] = [m] = [ω] = [p] = [k] = eV. Energy and frequency (and so on) have the same units,
inverse length or time. Consequence of QM, like the Heisenberg uncertainly principle.
1.2 General properties of the Schr¨ odinger Equation
A simple ‘deduction’ of the Schr¨ odinger Equation can goes as follows: For a plane wave (free
particle) one has that ψ = Aexp[i(kx−ωt)] with p = k, E = ω = p
2
/2m = k
2
/2m, so ψ satisfy
the Schr¨ odinger equation
Eψ = i

∂t
ψ =
_
p
2
2m
+ V (x)
_
ψ =
_

1
2m

2
∂x
2
+ V (x)
_
ψ (1.1)
1.2.1 Linearity, Superposition principle
The Schr¨ odinger Equation is linear, so a linear combination of solutions ψ =

i
α
i
ψ
i
is a
new solution, given that all the ψ
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 Schr¨odinger equation is separable:
1. its solutions can be written as Ψ(t, x) = φ(t)ψ(x).
(a) This general solution can be replaced into the Schr¨ odinger Equation to obtain that
Eψ = [−
1
2m

2
∂x
2
+ V (x)]ψ = H(x)ψ, i

∂t
φ(t) = Eφ(t) (1.2)
(b) The first is the Time independent Schr¨odinger Equation, and the second describes
the time dependence that can be obtained easily to have the general solution as
Ψ(t, x) = ψ(x) exp[−iEt] (1.3)
2. Given than in general the Time independent admits many solutions:
H(x)ψ
n
(x) = E
n
ψ
n
(x) (1.4)
3. and using the superposition principle one has that the general solution can be written as
Ψ(t, x) =

n
a
n
exp[−iE
n
t]ψ
n
(x) (1.5)
4. Given that most of the potentials are time independent our main task is to find out all
the solutions to the Time independent Schr¨odinger 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 finite the wavefunction and its derivative are con-
tinuous .
2. If the potential has an infinite discontinuity the wavefunction is continuous but not its
derivative.
20 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
3. To show that let us integrate the Schr¨odinger Equation between x − and x + to have
ψ

(x + ) −ψ

(x −) = 2m
_
x+
x−
dx (V −E)ψ ∼ [2m(V −E)ψ]
x+/2
− [2m(V −E)ψ]
x−/2
= lim
→0
[2mV ψ]
x+/2
− [2mV ψ]
x−/2
(1.6)
(a) If the potential is finite on both sides of x the right side vanishes when → 0 and
ψ

is continuous.
(b) If the potential is not finite on at least one side the right hand side is not defined
and ψ

is discontinuous.
(c) If the wavefunction is discontinuous, its derivative gets a higher order discontinuity (a
Dirac’s 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 Bohr’s interpretation (Copenhagen school) the density of probability is given
by ρ = [ψ[
2
.
2. It can be shown that it obeys a continuity equation and it is conserved (for a real potential
energy):
∂ρ
∂t
= ψ

∂ψ
∂t
+ ψ
∂ψ

∂t
=
i
2m



2
ψ −ψ∇
2
ψ

] −i(V −V

)ρ =
i
2m
∇ [ψ

∇ψ −ψ∇ψ

]
∂ρ
∂t
= −∇ J, J =
i
2m
[ψ∇ψ

−ψ

∇ψ] =
1
m
Im[ψ

∇ψ] (1.7)
3. thus for V

= V (real or hermitian) probability is conserved .
4. For a bounded particle the wave function can be normalized to one:
_
d
3
xρ = 1 and this
normalization is maintained as time evolves , given that the continuity equation holds.
1.2.5 Expected values, Momentum space, Eigenvalues and Dirac
Notation
1. According to the Bohr’s interpretation dynamical variables of Classical Physics are sub-
stituted in Quantum Mechanics by operators: O = x, H (the energy), p = −i∇, etc.
2. In the case one measures them the result is one of the eigenvalues of the operator, λ
n
)
(Oψ
n
= λ
n
ψ
n
).
1.2. GENERAL PROPERTIES OF THE SCHR
¨
ODINGER EQUATION 21
3. For the general case QM (the Schr¨odinger 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



_
d
3
x[ψ[
2
↔< O >
exp.

n
N
n
λ
n

n
N
n
(1.8)
where N
n
is the number of times λ
n
is obtained in the measurements.
4. This is shown for two particular cases in the histograms of the fig. 1.3.
5. In general when the system is in the state ψ =

n
a
n
ψ
n
one obtains
< O >
QM

n
[a
n
[
2
λ
i

i
[a
n
[
2
(1.9)
6. so the predicted probability of been in the state ψ
n
(and therefore of obtain λ
n
, when
measuring O) if one has ψ 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, ψ
n
the prediction is that one
measures λ
n
with probability one!.
1.2.6 Heisenberg Uncertainty principle
1. In general for all waves is valid that ∆k∆x ≥ 1
2. ∆f ≡ ∆f
rms

_
¸(f− < f >)
2
) =
_
< f
2
> − < f >
2
3. Matter waves are not the exception and one has that
∆p∆x ≥ 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
¨
ODINGER EQUATION (1-D)
\



Figure 1.3: Real measurement. The results can be plotted as histograms. In this case for
K
S
→2π and Z →e

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 Schr¨odinger Equation becomes, and its solution
Hψ = −
1
2m

2
∂x
2
ψ(x) = i

∂t
ψ
ψ = Ae
i(kx−ωt)
(1.12)
1. with ω = E = k
2
/2m = p
2
/2m = (2π/λ)
2
/2m,
2. In the relativistic case ω = E =
_
m
2
+ p
2
=
_
m
2
+ (2π/λ)
2
and E = m + K.
λ =

m
1
_
(E/m)
2
−1

λ
C
_
(E/m)
2
−1

_
2π/E for ultrarelativistic case E >> m
2π/mv = 2π/

2mK for the nonrelativistic case p << m
(1.13)
(a) where λ
C
= 2π/m is the Compton’s wavelength for a particle of mass m.
(b) In the nonrelativistic case, where p << m and E ·= m + K · m + p
2
/2m =
m + mv
2
/2.
(c) For a nonrelativistic molecule at temperature T, E = m+3k
B
T/2, then K = 3k
B
T/2
and λ = 2π/

3mk
B
T.
(d) For the case T, v →0 λ →∞!, and QM effects are observable like in the case of the
Bose-Einstein codensate (BEC) [BEC]
3. The density of probability is ρ = [A[
2
, the particle can be anywhere, with the same
probability.
4. The flux of probability is constant too: J = (k/m)[A[
2
= ρ v, where v = k/m is the
classical speed of the particle.
5. Notice the phase velocity is v
p
= ω/k = v/2, that is different from the classical one,
6. but the group velocity v
g
= ∂ω/∂k = v corresponds to the classical one.
7. The expectation values of the main operators are
< p > =
_

−∞
dxψ

(x)[−i∂/∂x]ψ(x)
_

−∞
dx[ψ(x)[
2
= k
< E > =
_

−∞
dxψ

(x)Hψ(x)
_

−∞
dx[ψ(x)[
2
=
k
2
2m
(1.14)
24 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
and < x >= 0.
8. ∆x = ∞, ∆p = 0 and by he Heisenberg principle ∆x∆p ≥ 1
9. The wavefunction has to be normalized to a Dirac Delta:
_

−∞
dxψ

k
(x)ψ
k
(x) = δ(k −k

) (1.15)
and ψ
k
(x) = e
ikx
/


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):
ψ(p) ≡
_
d
3
xe
−ip·x
ψ(x), ψ(x) ≡
_
d
3
p
(2π)
3
e
ip·x
ψ(p) (1.16)
12. For a plane wave one has that ψ
k
(k

) = δ(k −k

).
13. It can be shown that is equivalent to take expectation values in both spaces: configuration
or momenta (see exercises).
14. A very interesting case is obtain when the kinetic energy goes to zero and the wavefunction
becomes very large: λ = 2π/

2mK. This the Bose-Einstein condensate (BEC).
15. The BEC was created by the first time by E. Cornell, W. Ketterle and C. Wieman
(Nobel prize 2001) [BEC]. In that case the critical temperature to have it is T
c
=
(n/ζ(3/2)
2/3
(4π
2
/mk
B
), where n is the particles density. T = 50 noK, n = 1.8 10
14
cm
3
for atomic hydrogen.
History and Phenomenology of de Broglie waves
Historically [6]
1. Electrons
(a) the first observation of the wave character of matter was done by Davisson(he share
the Nobel prize with G. Thomson in 1937) and Germer in 1927. They observed
electrons with energies of 30-600 eV scattered by Ni crystals (formed by accident!).
A maximum was found at an deviation angle of around 54
o
. No explanation can be
1.3. SIMPLE POTENTIALS 25
















Figure 1.4: Electron diffraction: a) by a crystal (Davisson-Germer 1927) b) by crystals in
powder (G. Thomson 1927)
given at least electrons are assumed to behave like the matter waves proposed by de
Broglie. Theoretically one can understand the phenomena in the same way X-rays
are scattered by crystals (Laue and Bragg), even the same formula 2d sin φ = nλ
(φ = π/2 − θ) is still correct. The electrons wave length can be obtained from
eV = ω = 2πc/λ to get the λ = 1
˚
A for d = 1
˚
A. See Figs. 1.4 for the diffraction
pattern.
(b) Later a similar experiment was repeated by G. Thomson in 1927with electrons of
higher energies (10-40 keV) scattered by a crystals in powder(like for X-rays scatter-
ing of Debye-Hull-Scherrer) observing as a diffraction patterns rings (see fig. 3-4 in
Eisberg and Fig. 1.4). The bright zones are obtained at α = 2θ
Bragg
= tan
−1
(R/L),
dR/L = nλ, with R is the radius of the ring, L the distance between the screen and
the crystal powder and d the interplanar distance in the crystal.
(c) The wave character of electrons have been employed in many areas like the Transmis-
sion electron microscope (TEM), constructed by the first time in 1931 by E. Ruska
(Nobel 1986) and M. Koll.
(d) Besides other properties have been tested experimentally [6] like the cases of the
two slits Young experiment done by C. J¨onson in 1961(d = 0.5 µm, E = 50 keV
and λ = 0.05
˚
A) with one (one electron interfering with itself) and with a beam of
electrons, etc. See Fig. 1.4.
(e) Kapitza-Dirac: electrons diffracted by EM laser standing wave.
26 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)






























Figure 1.5: Two-slit electron interference and diffraction: One by one n=1, 10, 1000 electrons,
J¨ onson 1961 [6]. Electron and positron as particles of defined trajectories. Neutrons diffraction
single slit, Zeilinger. Neutron interference pattern for a double slit. Zeilinger.
2. Similarly, beside the classical EM experiments with many photons the wave character of
photon has been tested with few and one photon again in agreement the expected. One
has ‘one photon interfering with itself’.
3. Neutrons
(a) Neutron waves [6] use was started by Fermi, Marshall and Zinn in 1946 .
(b) it was developed (in the 50-s) as a new Engineering tool in the 50-s by Brockhouse
and Shull (Nobel 1994).
(c) Beautiful experiments with neutrons have been done, in agreement with their wave
character. These are the case of diffraction by a single slit, the Young two slits, and
more slits . See Fig. 1.5.
4. Additionally matter waves have been observed for α particles, atoms (He, with energies
of 0.03 eV) and molecules by the first time by Esterman and Stern that observed the
diffraction of a Na beam by a NaCl surface.
5. Now they are used heavily in atomic beams interferometry where very high accuracy have
been reached, like measuring the gravity with an experimental error of 10
−9
[8].
6. Finally experiments [6] have been done with large molecules like carbon-60, carbon-70
and biomolecules like tetraphenylporphyrin.
1.3. SIMPLE POTENTIALS 27
7. In general all wave phenomena (Interference, diffraction standing waves, lenses, and so
on ) are possible for matter waves!.
Wavepackets
1. A particular case is the superposition of plane waves, like for example a Gaussian Packet
(Townsend p. 164):
ψ(x, t = 0) =
1
_

π a
e
−x
2
/2a
2
+ik
0
x
ψ(k, t = 0) =
_
2

π a e
−a
2
(k−k
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 satisfied: ∆x∆p = 1/2.
4. Its time evolution can be obtained if one remember that each momenta component has a
well defined 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:
ψ(x, t) =
_
dk

ψ(k)e
−i(E
k
t−kx)
=
_
2

π a

_
dk exp
_

a
2
2
(k −k
0
)
2
−i
_
k
2
t
2m
−kx
__
=
1
_

π a(1 + it/ma
2
)
exp
_

1
1 + it/ma
2
_
x
2
2a
2
−ik
0
_
x −
k
0
t
2m
___
=
1
_

π a(1 + iτ)
exp
_

1
2
(ξ −2ic)
2
1 + iτ
−2c
2
_
[ψ(x)[
2
=
1
a
_
π(1 + τ
2
)
exp
_
−η
2
¸
(1.18)
with ξ = x/a, η = (ξ − 2cτ)/

1 + τ
2
, τ = t/T, T = ma
2
and c = k
0
a/2 = k
0
T/2ma =
vT/2a.
6. One can obtain that < x >= 2acτ = vt, < x
2
>= [1 + (1 + 8c
2

2
]a
2
/2 and ∆x =
a
_
(1 + τ
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 ∆x∆p = (1/2)

1 + τ
2
.
28 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
0 5 10 15 20 25 30
0,0
0,1
0,2
0,3
0,4
0,5
τ=2.5
τ=2
τ=1.5
τ=1
τ=0.5
τ=0
|
ψ
|
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 =

2mE) coming from
the left. Once it hit the step part of it reflects and the rest can be transmitted. Taking
k

=
_
2m(E −V
0
) the solution is
ψ
I
= Ae
ikx
+ Be
−ikx
, ψ
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 flux of probability is J
I
= ([A[
2
−[B[
2
)(k/m) and J
II
= [C[
2
(k

/m) one can
define the ‘Reflection’ and ‘Transmission’ coefficients as
1.3. SIMPLE POTENTIALS 29















Figure 1.7: : Transmission and reflection coefficients for the rectangular potential step
R = [B/A[
2
=
_
k −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
reflected 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
reflected and the rest, NTE is transmitted.
E < V
0
case
The solution in this case is
ψ
I
= Ae
ikx
+ Be
−ikx
, ψ
II
= Ce
−αx
(1.23)
The boundary conditions are (k =

2mE and α =
_
2m(V
0
−E)), now
A + B = C, ik(A −B) = −αC (1.24)
that can be solved to obtain
B/A =
k −iα
k + iα
C/A = 2k/(k + iα) (1.25)
Given that the flux 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 reflected.
1.3.3 Potential Barrier (Ramsauer and Tunnel effects)
In this case the potential is V
0
inside the region 0 < x < a and vanish outside.
30 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
E > V
0
case(Ramsauer Effect)
The solutions to the Schr¨ odinger Equation are, in the three regions
ψ
I
= Ae
ikx
+ Be
−ikx
, ψ
II
= Ce
ik

x
+ De
−ik

x
, ψ
III
= Ee
ikx
(1.26)
with k =

2mE and k

=
_
2m(E −V
0
). Given that the potential is finite 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 reflected 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 = λ/λ

, the equivalent of the refraction index in Optics. In this way the
reflection and transmission coefficients can be obtained:
R =
¸
¸
¸
¸
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 = lπ (equivalently λ

= 2a/l: the amplitude
at the interfaces is a maximum!) the transmission coefficient is one. One observe, too
that the greater the value of c more and narrower resonances are obtained.
2. This effect (Ramsauer effect) was discovered by Ramsauer and Townsend (1920) (Eisberg
218 and Gassiorowicz 79). It is obtained when a given gas is hited by a beam of electrons
of energy around 0.1 eV. The gas at this energy becomes transparent!.
3. An equivalent effect is obtained in Optics where a glass is recovered with a think film
in order to avoid unwanted reflections. In this case the condition for total transmission
is k

a = lπ, so again λ

= 2a/l. The transmission coefficient is T = [1 + (1/4)(1/n −
n)
2
sin
2
(2πa/λ

)]
−1
(Zhan p.517).
1.3. SIMPLE POTENTIALS 31
Figure 1.8: Transmission and reflection coefficients for the rectangular potential barrier. Ram-
sauer and Tunnel effect . Negative resistance in the tunnel diode.
E < V
0
case, Tunnelling
Now the solution can be written as
ψ
I
= Ae
ikx
+ Be
−ikx
ψ
II
= Ce
−αx
+ De
+αx
ψ
III
= Ee
ikx
(1.30)
with k =

2mE and k

= iα = i
_
2mV
0
(1 −x) (x < 1). The new solution can be obtained
just by replacing k

by iα to obtain in this case
R =
¸
¸
¸
¸
B
A
¸
¸
¸
¸
2
=
(1 + n
2
i
)
2
sinh
2
(αa)
(1 −n
2
i
)
2
sinh
2
(αa) + 4n
2
i
cosh
2
(αa)
T =
¸
¸
¸
¸
E
A
¸
¸
¸
¸
2
=
4n
2
i
(1 −n
2
i
)
2
sinh
2
(αa) + 4n
2
i
cosh
2
(αa)
=
_
1 +
sinh
2
(c

1 −x)
4x(1 −x)
_
−1
→exp
_
−2
_
a
0
dx
_
2m[V (x) −E]
_
(1.31)
with n
i
= α/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
¨
ODINGER EQUATION (1-D)
3. Another case is the α-decay where α particles are confined inside the nuclei and even if
do not have enough energy to scape the can because tunnelling. This was the first Strong
Interacting processed to admit a theoretical explanation, by Gamow, Condon and Guney
in 1928 [Nuclear Physics].
4. More examples are the NH
3
molecule, the base for the first maser (later laser) constructed
by C. Townes in 1954 and winning the 1964 Nobel prize.
5. The Tunnel diode constructed by Leo Esaki in the lat 50-s (Nobel 1973). He won the
Nobel prize in 1973. In this case electrons tunnel through the badgap of a p-n junction
and their modern versions [Tunnel].
6. A final application is given by the Scanning tunnelling microscope (STM) constructed
by the first time by G. Binnig and H. Rohrer in 1981 (Nobel 1986) [Tunnel]. See photos
obtained with the STM in Fig. 1.9.
1.3.4 Infinite Potential Well
In this case one can take V (x) = 0 inside the well, 0 < x < a and infinite outside. The
wavefunction is ψ(x) = 0 outside the well, wile inside one has in general the two possible
waves:
ψ(x) = Ae
ikx
+ Be
−ikx
(1.32)
with k =

2mE. Given that the wavefunction has to be continuous at both walls of the
well one has that ψ(0) = 0, so B = −A. In order to satisfy the boundary condition at wall in
x = a k has to be quantized: k = nπ/a with n is an integer. Normalizing the wavefunction the
final result is
ψ
n
(x) =
_
2
a
sin
_
nπx
a
_
E
n
=
n
2
π
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 first 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))
ψ
n
(x) =
_
2
a
_
sin (nπx/a) for n = 2, 4, 6,
cos (nπx/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 stadium-shaped ”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 confined 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 isn’t 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
atom-sized 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
¨
ODINGER EQUATION (1-D)
3. In this case parity is well defined and its value is p
n
= (−1)
n−1
.
4. Notice that E
1
> 0, so due to the Heisenberg uncertainty condition the ground state
energy can not be zero!, as in the classical case. If it were the case < p >=< p
2
>= 0
and ∆p = 0 while ∆x · a, violating the Heisenberg condition. Physical applications are
in quantum dots and the MIT bag model.
1.3.5 Finite Potential Well
In this case the potential vanish, except in the well (0 < x < a), where it is −V
0
. See exercise
20, Merzbacher 105 and Gasiorowics 78 for the case −a/2 < x < a/2.
E > 0
It is the same that in the case of the barrier (with E > 0), with V
0
negative. The spectra
is continuous and scattering happens. One can obtain the solution for this particular case by
taking V
0
→−V
0
(x →−x, c
2
→−c
2
, etc.). Thus from eq. (1.29) (Eisberg-Resnick 218)
R =
¸
¸
¸
¸
B
A
¸
¸
¸
¸
2
=
(1 −α
2
)
2
sin
2
(k

a)
(1 + α
2
)
2
sin
2
(k

a) + 4α
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 α = k

/k. The physics obtained is the similar to
the barrier case, as it is shown in the plot above.
−V
0
< E < 0
Here one obtain as solution, in the three regions
ψ
I
= Ae
αx
, ψ
II
= Be
ikx
+ Ce
−ikx
, ψ
III
= De
−αx
(1.36)
with α =

−2mE and k =
_
2m(V
0
+ E). Boundary conditions imply
A = B + C αA = ik(B −C)
Be
ika
+ Ce
−ika
= De
−αa
ik
_
Be
ika
−Ce
−ika
_
= −αDe
−αa
(1.37)
This a homogenous system of linear equations. There exists nontrivial solutions only if
¸
¸
¸
¸
¸
¸
¸
¸
1 −1 −1 0
α −ik ik 0
0 e
ika
e
−ika
−e
−αa
0 ike
ika
−ike
−ika
αe
−αa
¸
¸
¸
¸
¸
¸
¸
¸
=
¸
¸
¸
¸
¸
¸
¸
¸
1 −1 −1 0
1 −iβ iβ 0
0 e
ika
e
−ika
−1
0 iβe
ika
−iβe
−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 β = k/α. The determinant can be computed to get
(1 −iβ)
2
e
−ika
−(1 + iβ)
2
e
ika
= (1 −β
2
) sin(ka) + 2β cos(ka) = 0 (1.39)
To obtain the equation, whose solutions determinate the energy levels
tan(ka) = −

1 −β
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 finite 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
¨
ODINGER EQUATION (1-D)
1.4 Harmonic oscillator (1-D)
In general all potential with a minima at x = a can be approximated by (see 3D 2.3.4)
V (x) ·
1
2
V

(a)(x −a)
2
=
1
2
k(x −a)
2
=
1
2

2
(x −a)
2
(1.42)
The Sch¨ odinger Eq. can be written in this case
d
2
ψ
dx
2
+ [2mE −m
2
ω
2
x
2
]ψ = 0,
d
2
ψ

2
+ [λ −ξ
2
]ψ = 0, 4z
d
2
ψ
dz
2
+ 2

dz
+ [λ −z]ψ = 0 (1.43)
with λ = 2E/ω = 2mE/α
2
, α
2
= mω, ξ = αx and z = ξ
2
. This is the ‘Weber equation’.
In the limit of ξ → ∞, ψ → Aexp[−z/2], so one can try the solution of the form ψ =
exp[−z/2]f(z) to get for f
zf

+
_
1
2
−z
_
f


1 −λ
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−λ)/4 and M is the Confluent Hypergeometric function B.3.4. The asymptotic
behavior is (Arken 757) for [z[ →∞ is:
M(a; c, z) →
Γ(c)
Γ(a)
e
z
z
a−c
_
1 +
(1 −a)(c −a)
1!z
+
_
(1.45)
Given that the asymptotic behavior of the wavefunction is
ψ = exp[−z/2]f(z) →exp[z/2]z
a−1/2
(1.46)
This condition is unphysical so the boundary condition at infinity force us to end the series.
This is possible in two ways: First a = −l and B = 0 so
ψ
l
(x) = D
l
exp[−z/2]M(−l; 1/2, z), E
l
= (2l + 1/2)ω (1.47)
The second possibility is a + 1/2 = −j and A = 0 for
1.4. HARMONIC OSCILLATOR (1-D) 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
ρ ρ ρ ρ
0
ξ ξξ ξ
ρ ρ ρ ρ
1
ξ ξξ ξ
ρ ρ ρ ρ
2
ξ ξξ ξ
ρ ρ ρ ρ
1
0
ξ ξξ ξ
Figure 1.11: Harmonic oscillator wavefunctions for several the ground and several exited states
ψ
j
(x) = E
j
exp[−z/2]z
1/2
M(−j; 3/2, z), E
j
= [(2j + 1) + 1/2]ω (1.48)
In both cases the resulting polynomials are Hermite B.4.6 ones:
H
2l
(η) = (−1)
l
(2l)!
l!
M(−l; 1/2, η
2
), H
2j+1
(η) = (−1)
j
2(2j + 1)!
j!
ηM(−j; 3/2, η
2
) (1.49)
So both cases can be combined as:
ψ
n
(x) =
_
α
2
n
n!

π
exp[−ξ
2
/2]H
n
(ξ) ≡ N
n
exp[−ξ
2
/2]H
n
E
n
= (n + 1/2)ω 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, 2∆t over the
period: ∆P
class
= 2∆t/T (the factor two is because the particle cross the same interval twice
in a given period). Given than v = ∆x/∆t then ρ
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

2
x
2
=
1
2

2
A
2
= (n + 1/2)ω (1.51)
and x = Asin(ωt), so v
2
= (ωA)
2
cos
2
(ωt) = (ωA)
2
(1 −x
2
/A
2
). Thus the final expression is
38 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
ρ
class.
=
1
π

A
2
−x
2
=
α
π
_
2(n + 1/2) −ξ
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
¨
ODINGER EQUATION (1-D) 39
1.5 Exercises, Schr¨ odinger Equation (1-D)
1.5.1 Matter waves
1. Compute λ
deBroglie
and ν for:
A: E
2
= m
2
+ p
2
= m
2
+ k
2
= m
2
+ (2π/λ)
2
then
λ =

m
1
_
(E/m)
2
−1

λ
C
_
(E/m)
2
−1

_
2π/E for ultrarelativistic case E >> m
2π/mv = 2π/

2mK for the nonrelativistic case p << m
(1.53)
where λ
C
= 2π/m is the Compton’s wavelength for a particle of mass m. In the non-
relativistic case, where p << m and E ·= m + K · m + p
2
/2m = m + mv
2
/2. For
a nonrelativistic molecule at temperature T, E = m + 3k
B
T/2, then K = 3k
B
T/2 and
λ = 2π/

3mk
B
T.
case m λ
C
λ 1/∆p ∼ 1/p
e

, K = 10 eV (Chemistry) 0.5 MeV 2480 f 3.9
˚
A 197.3
˚
A
e

, K = 50 eV (Davison-Germer) 0.5 MeV 2480 f 1.8
˚
A 39.5
˚
A
e

, E = 100 GeV (LEP II) 0.5 MeV 2480 f 0.012 f 0.002 f
γ, E = 10 eV (Chemistry) 0 ∞ 1240
˚
A 197.
˚
A
γ, E = 10 MeV 0 ∞ 120 f 19.7 f
p, E = 1 TeV (Tevatron-Fermilab) 938 MeV 1.3 fm 1.2 10
−3
f 2 10
−4
f
p, E = 20 TeV (LHC) 938 MeV 1.3 fm 6.2 10
−5
f 1 10
−5
f
p, E = 10
20
eV (Cosmic rays) 938 MeV 1.3 fm 1.2 10
−11
f 2 10
−12
f
4
He, K = 10 MeV (Rutherford) 4 uma 4.5 f 124 f
238
U 238 uma 0.0054 fm
T = v = 0 m ,= 0 ∞
N
2
, T = 300
o
K 28 uma 0.27
˚
A
4
He, T =
o
K 4 uma 7.3
˚
A
BEC H, T = 10
−9 o
K 1 uma 0.08 mm
cell (µm) 0.3 ngr 6.2 10
−30
m
virus (10 −300 nm)
−0
m
car, 2 T, v = 60 km/h 2 T 10
−45
m 1.9 10
−38
m 3 10
−39
m
Table: Values for several interesting de Broglie wavelengths.
40 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
2. Show that < p
n
> can be obtained equally in the space or momenta space
< p
n
> =
_
d
3
p
(2π)
3
ψ(p)

p
n
ψ(p) =
_
d
3
xd
3
x

ψ(x

)

ψ(x)
_
d
3
p
(2π)
3
p
n
e
−ip·(x−x

)
=
_
d
3
xd
3
x

ψ(x)

ψ(x)[i∇
x
]
n
_
d
3
p
(2π)
3
e
−ip·(x−x

)
=
_
d
3
xd
3
x

ψ(x

)

[(−i∇)
n
ψ(x)]
_
d
3
p
(2π)
3
e
−ip·(x−x

)
=
_
d
3
xψ(x)

[−i∇]
n
ψ(x) (1.54)
where integration by parts was done and the Dirac’s 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
_
π(1 + τ
2
)
_
dξ ξ exp[−η
2
], < x
2
>=
a
2
_
π(1 + τ
2
)
_
dξ ξ
2
exp[−η
2
]
∂ψ
∂ξ
= −
ξ −2ic
1 + iτ
ψ,

2
ψ
∂ξ
2
= −
_
1
1 + iτ

(ξ −2ic)
2
(1 + iτ)
2
_
ψ
< p
2
> = −
1
a
2
_

2
ψ
∂ξ
2
_
=
1
a
2
(1 + iτ)
2
_
1 + iτ + 4c
2
+ 4ica
_
dξξ[ψ[
2
−a
_
dξξ
2
[ψ[
2
_
=
1
a
2
(1 + iτ)
2
_
1 + iτ + 4c
2
+ 4ica
2cτ
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 first case the position of the particle become well determinates, a (∆x →0) but
it momenta is completely unknown: ∆p = ∞:
[ψ(x)[
2
→ δ(x −vt), lim
a→0
1
a
exp[−x
2
/a
2
] = δ(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 significant spread out of the gaussian wave packet is
T = ma
2
= ma
2
/c
2
. For a microscopic object like an electron confined in a distance of
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 41
the order of the atom T = 0.5MeV (10
−10
m)
2
/197.3MeV 10
−15
m 3 10
8
m/s ∼ 10
−18
sec.
For a macroscopic body T = ma
2
= ma
2
/ ∼ 10
−3
kg (10
−3
m)
2
/10
−34
J s ∼ 10
25
s ∼ 10
17
years!.
7. For the free particle case write out the wavefunction for a given time as a function of the
initial one
A:
ψ(x, t) =
_
dk

ψ(k) exp[−i(E
k
t −kx)] =
_
dk

dy exp[−iky]ψ(y, 0) exp[−i(E
k
t −kx)]
=
_
dy
dk

exp[−ik
2
t/2m + ik(x −y)]ψ(y, 0) =
_
m
2πit
_

−∞
dy exp
_
im
2t
(x −y)
2
_
ψ(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]
ψ(x, t) =
_
m
2πit
_
a
0
dy exp
_
im
2t
(x −y)
2
_
A =
A


_

m/2t x

m/2t (x−a)
dz
_
cos z
2
+ i sin z
2
¸
=
A

2i
_
C(
_
mπ/4t x) + iS(
_
mπ/4t x) −C(
_
mπ/4t (x −a)) −iS(
_
mπ/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 = ω and p = k, v
f
= ω/k = E/p =
_
m
2
+ p
2
/p = mγ/mγv
c
= 1/v
c
.
v
g
= dω/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 δ around the axis AC, find the phase difference of the
two rays (Sakurai MQM version of Colella, Overhauser and Werner experiment [8]).
A:
∆φ = (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 δ)]/2mE −1
_
= k
d
L
2
_
_
1 −mgL
1
sin δ/E −1
_
· −k
d
L
2
(mgL
1
sin δ/2E) = −
mgL
1
L
2
λsin δ

2
(1.59)
42 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)

Figure 1.12: Figures corresponding to the 1D exercises. Colella experiment. semi-infinite well.
Symmetric finite well. Odd and even wave function. Two semi-harmonic oscillator well. Dirac’s
comb.
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 43
12. Obtain the corresponding Schr¨ odinger integral equation [Landau-Paez, chap. 16 in ref
[4]]
A: Taking the fourier transform of the SE one obtains the ISE in momenta space:
q
2
2m
ψ(q) +
_
dk

V (q −k)ψ(k) = Eψ(q) (1.60)
1.5.2 Other wells and steps
13. Do the problem of the Potential step again, but in the case the wave travels from left to
right.
14. Workout the Gaussian wavepacket case colliding with a rectangular step (Schiff 105, A.
Goldberg, H. Schey and J. Schwartz, Am. J. Phys. 35, 177 (1977)).
15. Semi-finite well (1D), with potential (see Fig. 13)
V (x) =
_
_
_
∞ if x < 0
−V
0
if 0 < x < a
0 if a < x
(1.61)
A: The solution can be written, for the Bounded states (V
0
< E < 0)
ψ
I
= Ae
−ik

x
+ Be
ik

x
, ψ
II
= Ce
−αx
(1.62)
with k

=
_
2m(E + V
0
) and α =

−2mE. The boundary conditions are ψ(0) = 0,
ψ(a

) = ψ(a
+
) and ψ

(a

) = ψ

(a
+
) so B = −A and
2iAsin(k

a) = Ce
−αa
, 2ik

Acos(k

a) = −Cαe
−αa
(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
¨
ODINGER EQUATION (1-D)
c=0.1 no solution
c=1.6 0
c=10 -0.92, -0.68, -0.29
Table: Roots of the eqs. (1.64).
The solution for the continuous part (E > 0) of the spectra can be written as
ψ
I
= Asin(k

x), ψ
II
= Ce
ikx
+ De
−ikx
(1.65)
where now k =

2mE and given that ψ(0) = 0. The other boundary conditions, at x = a
are
Asin(k

a) = Ce
ika
+ De
−ika
, k

Acos(k

a) = ik
_
Ce
ika
−De
−ika
¸
(1.66)
and solving for the reflected 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)δ(x) find out the reflection coefficient. Hint:
Obtain the boundary condition at x = 0.
A: The wavefunction is ( with k =

2mE)
ψ(x) =
_
Ae
ikx
+ Be
−ikx
for x < 0
Ce
ikx
for x > 0
(1.68)
The boundary conditions at x = 0 are ψ(0

) = ψ(0
+
) and ψ

(0
+
) −ψ

(0

) = V
0
ψ(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 reflected.
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 45
17. For the potential of the form V (x) = −(V
0
/2m)δ(x) with V
0
> 0 find the bounded states
(E < 0). Zettili 243 See Landau-Paez p. 233 in ref. [4]. Hint: Obtain the boundary
condition at x = 0: ψ

(0
+
) −ψ

(0

) = −V
0
ψ(0).
A: The Schr¨ odinger eq., at x ,= 0 is ψ

(x) = α
2
ψ(x) (α =

−2mE) and the physical
solution for possible bounded states is
ψ(x) =
_
Ae
−αx
for x > 0
Be
αx
for x < 0
(1.70)
Given that the wavefunction is continuous at the origin B = A and from the boundary
condition in the derivative one obtains that E = −V
2
0
/8m is the unique bounded state
and the normalization constant is A =
_
V
0
/2.
18. Obtain the corresponding Schr¨ odinger integral equation for the potential V (x) = −(V
0
/2m)δ(x)
A: The fourier transform of the potential is V (k) = −V
0
/2m and the ISE is:
q
2
2m
ψ(q) −
V
0
2m
_
dk

ψ(k) = Eψ(q) (1.71)
19. For the potential of the form V (x) = −(V
0
/2m) [δ(x −a/2) + δ(x + a/2)] with V
0
> 0 find
the bounded states (E < 0). see Park 115 double wells, NH3, covalent bonds merzbacher
70. Do the time dependent case to obtain oscillations between the two wells. Zettili 245.
A: The Schr¨ odinger eq., at x ,= 0 is ψ

(x) = α
2
ψ(x) (α =

−2mE) and the physical
solution for possible bounded states is
ψ
I
(x) = Ae
αx
, ψ
II
(x) = Be
αx
ψ
I
(x) + Ce
−αx
, ψ
III
(x) = De
−αx
(1.72)
The wavefunction is continuous at x = ±a/2 and its derivative satisfy the condition
ψ

(±(a/2)
+
) −ψ

(±(a/2)

) = −V
0
ψ(±a/2) so
e
−αa/2
A −e
−αa/2
B −e
αa/2
C = 0
−e
−αa/2
A + e
−αa/2
B −e
αa/2
C = (V
0
/α)e
−αa/2
A
e
αa/2
B + e
−αa/2
C = e
−αa/2
D
−e
αa/2
B + e
−αa/2
B = e
−αa/2
D + (V
0
/α)e
−αa/2
D (1.73)
In order to have a novanishing solution one has to have
46 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
¸
¸
¸
¸
¸
¸
¸
¸
e
−αa/2
−e
−αa/2
e
αa/2
0
−e
−αa/2
[1 + V
0
/α] e
−αa/2
−e
αa/2
0
0 e
αa/2
e
−αa/2
−e
−αa/2
0 e
αa/2
e
−αa/2
−(1 + V
0
/α)e
−αa/2
¸
¸
¸
¸
¸
¸
¸
¸
= 0
[1 + V
0
/α]z
2
−(V
0
/α)z + 1 = 0
z ≡ e
αa
=
V
0
/α ±
_
(V
0
/α)
2
−4(1 + V
0
/α)
4[1 + V
0
/α]
(1.74)
20. Finite symmetric well (1D) , with potential V (x) = V
0
θ([x[ −a/2) (Schiff 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 infinity
ψ
I
= Ae
αx
, ψ
II
= Bcos(kx) + C sin(kx), ψ
III
= De
−αx
(1.76)
with α =
_
2m(V
0
−E) and k =

2mE and β = k/α. Besides at x = ±a/2,
Ae
−αa/2
= Bcos(ka/2) −C sin(ka/2), αAe
−αa/2
= kBsin(ka/2) + kC cos(ka/2)
De
−αa/2
= Bcos(ka/2) + C sin(ka/2), −αDe
−αa/2
= −Bk sin(ka/2) + Ck cos(ka/2)
¸
¸
¸
¸
¸
¸
¸
¸
e
−αa/2
−cos(ka/2) sin(ka/2) 0
αe
−αa/2
−k sin(ka/2) −k cos(ka/2) 0
0 cos(ka/2) sin(ka/2) −e
−αa/2
0 −k sin(ka/2) k cos(ka/2) αe
−αa/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 −β sin(ka/2) −β cos(ka/2) 0
0 cos(ka/2) sin(ka/2) −1
0 −β sin(ka/2) β cos(ka/2) 1
¸
¸
¸
¸
¸
¸
¸
¸
= (sin(ka/2) + β cos(ka/2)) (cos(ka/2) −β sin(ka/2)) = 0
(1 −β
2
) sin(ka/2) cos(ka/2) + β
_
cos
2
(ka/2) −sin
2
(ka/2)
_
= 0
tan(ka) =
−2β
1 −β
2
(1.78)
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 47
On another side one can obtains
2Bcos(ka/2) = (A + D)e
−αa/2
, 2kBsin(ka/2) = α(A + D)e
−αa/2
2C sin(ka/2) = (D −A)e
−αa/2
, 2Ck cos(ka/2) = α(A −D)e
−αa/2
(1.79)
There are two possibilities, the first C = 0, so D = A and the solution has positive parity:
ψ(x) = ψ(−x). The energy levels are determinated by the solutions of the equation
k tan(ka/2) = α, η = ξ tan ξ (1.80)
The second B = 0, so D = −A and the solution has negative parity: ψ(x) = −ψ(−x).
The energy levels are determinated by the solutions of the equation
k cot(ka/2) = −α, η = −ξ cot ξ (1.81)
with ξ = ka/2 and η = αa/2. In general is valid that
η
2
+ ξ
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
π,
−cot(ka/2) = ∞ and ka/2 = nπ, (1.83)
donde n = 1, 2, 3, . . ., or ka = nπ. The spectra is then E
n
= (nπ/a)
2
/2m.
21. Obtain the corresponding Schr¨odinger integral equation for the finite symmetric well (1D),
with potential V (x) = −V
0
θ([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
ψ(q) + 2V
0
_
dk

sin((q −k)a/2)
q −k
ψ(k) = Eψ(q) (1.84)
48 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
Figure 1.13: Finite well roots, for the symmetric and antisymmetric wavefunctions
1.5.3 Infinite well
22. Find, for an infinite potential well estimate the zero point energy, the lowest emited
frecuency and the temperature needed to emit it in physically interested cases
A:
case a E
1
ν
21
[hz] T [
o
K]
e

, atom, quantum dot 1
˚
A 38 eV 1.7 10
17
1.8 10
6
e

, nucleus 1 f 0.4 TeV 1.8 10
27
1.8 10
16
p 1
˚
A 0.02 eV 9 10
13
928
p nucleus 1 f 205 MeV 9 10
23
9.5 10
12
π, nucleus 1f 1.4 GeV 6.4 10
24
6.5 10
13
quark-u (m
u
· 0.3 GeV), proton 1f 0.64 GeV 3 10
24
3 10
13
N
2
, A = 28 1 mm 7 10
−18
eV 0.03 3 10
−13
cell (0.3 ngr) 20 µm 4 10
−46
eV 1.8 10
−30
1.9 10
−41
Si (1 mgr) 0.5 mm 2 10
−55
eV 9 10
−40
9 10
−51
ball, m = 20 gr 10 cm 2 10
−64
eV 9 10
−49
9 10
−60
Table: Values for several interesting energies, emmited frecuencies and temperatures
needed to exited the first two levels. E
1
= (π/a)
2
/2m, ν
21
= 3(π/a)
2
/2m = 3E
1
and
T · 2(π/a)
2
/mk
B
= 4E
1
/k
B
.
23. For an infinite potential well (0 ≤ x ≤ a) compute a) x
nl
, x
2
nl
, ∆x, b) do the same in the
classical case, c) p
nl
, p
2
nl
, ∆p and ∆x∆p, for a given state n d) do the same classically ,
e) write x
nl
and p
nl
in matrix form and obtain [x, p], and f) Obtain v = p
n
/m, < K >,
< V >, e) Obtain < E > for an Boltzmann ensemble at temperature T
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 49
A: Using 2 sin a sin b = cos(a −b) −cos(a + b) one can reduces the integrals
x
nl
=
2
a
_
a
0
dx sin
_
lπx
a
_
x sin
_
nπx
a
_
=
1
a
_
a
0
dx x
_
cos
_
(n −l)πx
a
_
−cos
_
(n + l)πx
a
__
=
1
a
_
x
2
2
δ
nl
+
a
2
(n −l)
2
π
2
cos
_
(n −l)πx
a
_
+
ax
(n −l)π
sin
_
(n −l)πx
a
_
−(l →−l)
_
x=a
x=0
=
a
2
δ
nl
+
a
π
2
_
(−1)
n−l
−1
(n −l)
2

(−1)
n+l
−1
(n + l)
2
_
x
2
nl
=
2
a
_
a
0
dx sin
_
nπx
a
_
x
2
sin
_
lπx
a
_
=
1
a
_
x
3
3
δ
nl
+
2a
2
x
(n −l)
2
π
2
cos
_
(n −l)πx
a
_
+
_
ax
2
(n −l)π

2a
3
(n −l)
3
π
3
_
sin
_
(n −l)πx
a
_
−(l →−l)
_
x=a
x=0
=
a
2
3
δ
nl
+
2a
2
π
2
_
(−1)
n−l
(n −l)
2
(1 −δ
nl
) −
(−1)
n+l
(n + l)
2
_
(1.85)
so (∆x)
n
= a
_
1/12 −1/2π
2
n
2
. Similarly
p
nl
=
2
a
_
a
0
dx sin
_
nπx
a
_

_
−id
dx
_
sin
_
lπx
a
_
= −
2ilπ
a
2
_
a
0
dx sin
_
nπx
a
_
cos
_
lπx
a
_
=
il
a
_
(−1)
n−l
−1
(n −l)
2
+
(−1)
n+l
−1
(n + l)
2
_
p
2
nl
=
2
a
_
a
0
dx sin
_
nπx
a
_

_
−id
dx
_
2
sin
_
lπx
a
_
= −
2(lπ)
2
a
3
_
a
0
dx sin
_
nπx
a
_
sin
_
lπx
a
_
=
_

a
_
2
δ
nl
(1.86)
so ∆p = nπ/a. The uncertainty principle is in this case ∆x∆p = nπ
_
1/12 −1/2π
2
n
2
.
On another side < E >=< K > + < V (x) >= (nπ/a)
2
/2m (given that V (x) = 0).
24. For an infinite potential well Plot [ψ(x)[
2
and [ψ(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 finding the particle in the first 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
¨
ODINGER EQUATION (1-D)
27. For an Harmonic Oscilator compute (see an alternative in chapter 3: the annihilation and
creation operators) a) x
nl
, x
2
nl
, ∆x , b) p
nl
, p
2
nl
, ∆p and ∆x∆p for a given state n, c) write
x
nl
and p
nl
in matrix form and obtain [x, p], d) Obtain v = p
n
/m, < K >, < V > and
e) Obtain < E > for an Boltzmann ensemble at temperature T
x
nm
= N
n
N
m
_

−∞
e
−ξ
2
H
n
(ξ)xH
m
(ξ)dx =
N
n
N
m

2
_

−∞
e
−ξ
2
H
n
(ξ) [H
m+1
(ξ) + 2mH
m−1
(ξ)] dξ
=
N
n
N
m

2

n,m+1
+ 2mδ
n,m−1
] 2
n

π n! =
1

2 α
_

n δ
n,m+1
+

n + 1 δ
n,m−1
_
(1.87)
x
n,l
=
1

2 α
_

l + 1δ
n,l+1
+


n,l−1
_
p
n,l
=


2
_

l + 1δ
n,l+1



n,l−1
_
x
2
n,l
=
1

2
_
_
(l + 1)(l + 2)δ
n,l+2
+ (2l + 1)δ
n,l
+
_
l(l −1)δ
n,l−2
_
p
2
n,l
= −
α
2
2
_
_
(l + 1)(l + 2)δ
n,l+2
−(2l + 1)δ
n,l
+
_
l(l −1)δ
n,l−2
_
(1.88)
and ∆x∆p =
_
[< 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
= −

∂β
Z, β =
1
k
B
T
, Z =

n
e
−βEn
=
1
e
βω/2
−e
−βω/2
< E > =
ω
2
coth
_
ω
2k
B
T
_
→k
B
T
_
1 −
1
2
_
ω
k
B
T
_
2
+
_
(1.89)
when T →∞, in agreement with the equipartition theorem. If T →0 then < E >→ω/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
ω
2
x
2
¸
¸
¸ n
_
=
m
2
ω
2
x
2
nn
=

2
2
[(2n + 1)/2α
2
] =
1
2
(n + 1/2)ω =
1
2
E
n
< K >
n
=
_
n
¸
¸
¸
¸
p
2
2m
¸
¸
¸
¸
n
_
= p
2
nn
/2m = α
2
(2n + 1)/4m = (1/2)(n + 1/2)ω =
1
2
E
n
(1.90)
so < V >
n
=< K >
n
= (n + 1/2)ω/2.
29. Obtain H
nl
= p
2
nl
/2m + (mω
2
/2)x
2
nl
= (n + 1/2)ωδ
nl
30. For a Harmonic Oscillator Plot [ψ(x)[
2
and [ψ(p)[
2
, for n = 1 and n = 10.
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 51
31. Compute, for a Harmonic oscillator the probability to find the particle outside of the
classical allowed region, for n = 0 and for n = 10.
32. A given state of a Harmonic Oscillator is given by the wavefunction: ψ =

4
i=1
a
i
ψ
i
.
Compute the energy of this state.
33. An oscillator is in the state ψ = aψ
0
+ bψ
1
. Find ∆x∆p.
A:
< x > =
_
a

e
iωt/2
< 0[ + b

e
3iωt/2
< 1[
¸
x
_
ae
−iωt/2
[0 > +be
−3iωt/2
[1 >
¸
[a[
2
+[b[
2
=

2Re (a

be
−iωt
)
α[[a[
2
+[b[
2
]
=

2 [a

b[
α[[a[
2
+[b[
2
]
cos(ωt) (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 (Schiff page?).
35. The molecule of CO has a natural frequency of CO: ¯ ν
0
= 2170 cm
−1
≡ 1/λ (1 cm
−1
=
3 10
10
hz). Do the same for H
+
2
: ¯ ν
0
= 2297 cm
−1
. H
2
: ¯ ν
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 = mω
2
= m(2πν)
2
= 640 N/M, a macroscopic value!,
(b) the average size of the vibrations < x >
rms
and
x
rms
= (1/α)
_
n + 1/2 =
_
(n + 1/2)λ/4πmc = 0.06
˚
A.
(c) What is the temperature need to be able to ‘see’ the vibration and the rotation
spectra.
k
B
T = ω = 2πc/λ → and c) T = 2πc/λk
B
= 2π 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: ν ∼ 10 sec
−1
. ∆E = ω = 2π ν = 6 10
−34
10 = 0.6 10
−32
J !.
37. Work out the harmonic oscillator in presence of an electric field, in general:
V =
1
2

2
x
2
−eEx + V
0
(1.92)
52 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
38. Work out the case of two coupled oscillators (Zettili 259)
V =
1
2
µω
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 fields.
For the experimental side see ref. [8]).
A: The SE is
_

1
2m
d
2
dx
2
+ Fx
_
ψ = Eψ,
_
d
2

2
−ξ
_
ψ = 0, ψ = AAi(ξ) + BBi(ξ) (1.94)
where ξ = (2mF)
1/3
(x − E/F), the regular solution is Ai(ξ) while the irregular one is
Bi(ξ), 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
/π 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 first 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 confinement as well as the
Quarkonium spectra.
1.5. EXERCISES, SCHR
¨
ODINGER EQUATION (1-D) 53
40. Double oscillator, Merzbacher 65.
V (x) =

2
2
_
(x + a)
2
for x < 0
(x −a)
2
for x > 0
(1.97)
A: The SE becomes (α
2
= mω, E = (ν + 1/2)ω, z = α
2
(x ± a)
2
for x < 0 and x > 0,
respectively
_
d
2
dx
2
−α(x ±a)
2
+ 2mE
_
ψ = 0

+ (1/2 −z)ψ

+ (ν/2)ψ = 0 (1.98)
with the solution, satisfying the boundary conditions at x →±∞
ψ = AU(−ν/2, 1/2, z) exp[−z/2] (1.99)
with different constants for x positive and negative. The boundary conditions, taking
into account parity become ψ

(0) = 0 and ψ(0) for even and odd parities, respectively.
This the solution is
ψ = Aexp[−z/2]U(−ν/2, 1/2, z)
_
±1 for x < 0
1 for x > 0
(1.100)
41. Do the problem of the double finite square well: a) obtain the reflection and transmission
coefficients and b) the energy values for the discrete spectra. Do the time dependant case
to obtain oscillations between the two wells.
42. Show the Bloch’s theorem (Sakurai 261)
43. Periodic Kronig-Penney potential. Show that for a periodic potential, with period a
(V (x+a) = V (x)) the solution can be written as ψ(x+na) = e
iqx
u
q
(x) with u
q
a periodic
function of period a, or ψ(x +na) = e
inqa
ψ(x) (Floquet’s Theorem). Bransden 182, exer.
4.20 (a →∞, bands tend to a discrete spectrum) 192, Fl¨ ugge 62.
A: The operator translation by a distance a, defined as T
a
ψ(x) = ψ(x + a) commutes
with the Hamiltonian. Therefore it can be diagonalized simultaneously. Let ψ
1,2
be two
independent solutions of the SE. Thus the general solution ψ = aψ
1
+bψ
2
, as well as ψ
1,2
must be eigenfunctions of T
a
:
54 CHAPTER 1. SCHR
¨
ODINGER EQUATION (1-D)
ψ
i
(x + a) = C
i1
ψ
1
(x) + C
i2
ψ
2
(x) = λψ
i
(x)
ψ(x + a) = d
1
ψ
1
(x) + d
2
ψ
2
(x) = a
1
ψ
1
(x + a) + a
2
ψ
2
(x + a)
= [a
1
C
11
+ a
2
C
21

1
(x) + [a
1
C
12
+ a
2
C
22

2
(x) = λψ(x) (1.101)
The last equality has a novanish solution only if
¸
¸
¸
¸
C
11
−λ C
21
C
12
C
22
−λ
¸
¸
¸
¸
= 0
has two solution λ
1,2
and the Wroskian of the two eigensolutions W(ψ
λ
1
, ψ
λ
2
) is from one
side periodic and as it is well known (see pe Arfken [4]) is constant. Therefore
W(x + a) = λ
1
λ
2
W(x) = const. (1.102)
so λ
1
λ
2
= 1. Given that ψ(x + na) = λ
n
ψ(x) = finite for all n, it follows that λ
1
= e
iqa
and λ
2
= e
−iqa
. Thus one has that ψ(x + na) = e
niqx
ψ(x) that it is satisfy only if
ψ(x) = e
iqx
u
q
(x) with u
q
(x + a) = u
q
(x).
44. Find the spectra for the ‘Dirac’s comb’ potential: V (x) = (V
0
/2m)

n
δ(x −na)
A: The solution in the cells 0 < x < a and a < x < 2a can be written in general as
ψ(x) =
_
Ae
ikx
+ Be
−ikx
for 0 < x < a
Ae
ik(x−a)
+ Be
−ik(x−a)
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.
Bibliography
1.6 Basic References
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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
´
R
´
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

´−
1
2M
´
R
+ V (r, R)
_
ψ(r, R) = E
T
ψ(r, R) (2.3)
with M = m
1
+ m
2
and µ = 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 ψ(r, R) = ψ
CM
(R)ψ(r), to separate
the two contributions satisfying the equations
_

1
2M
´
R
+ V
ext.
(R)
_
ψ(R) = E
CM
ψ(R),
_

1

´+ V (r)
_
ψ(r) = Eψ(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
ψ
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 (3-D)
For a free particle the wave equation is ∇
2
ψ = 2mEψ, and its solution can be obtained easily,
with the normalization condition
ψ =
1
(2π)
3/2
e
ik·x
, E
k
=
k
2
2m
;
_
d
3


k
(x)ψ
k
(x) = δ
(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, )
ψ
n
1
n
2
n
3
=
_
8
V
sin
_
n
1
πx
a
_
sin
_
n
2
πy
b
_
sin
_
n
3
πz
c
_
,
E
n
1
n
2
n
3
=
1
2m
_
_
n
1
π
a
_
2
+
_
n
2
π
b
_
2
+
_
n
3
π
c
_
2
_
(2.7)
2.2.3 Anisotropic Harmonic oscillator (3-D)
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
_
ω
2
1
(x −a)
2
+ ω
2
2
(y −b)
2
+ ω
2
3
(z −c)
2
¸
(2.8)
The Sch¨ odinger Eq. can be written in this case (x →x +a)

2
ψ +
_
2mE −m
2
_
ω
2
1
x
2
+ ω
2
2
y
2
+ ω
2
3
z
2

ψ = 0
1
ψ
1
d
2
ψ
1
dx
2
+
1
ψ
2
d
2
ψ
2
dy
2
+
1
ψ
3
d
2
ψ
3
dz
2
+ 2mE −α
4
1
x
2
−α
4
2
y
2
−α
4
1
z
2
= 0 (2.9)
2.2. CARTESIAN COORDINATES 65
with ψ(r) = ψ
1
(x)ψ
2
(y)ψ
3
(z),
d
2
ψ
i

2
i
+ [λ
i
−ξ
2
i

i
= 0 (2.10)
with λ
i
= 2E
i

i
= 2mE
i

2
i
, α
2
i
= mω
i
and ξ
i
= α
i
x
i
(no sum), and similarly for the other
components. Naturally E = E
1
+ E
2
+ E
3
. Thus the normalized solution is
ψ
i
(x) =
_
α
i
2
n
i
n
i
!

π
exp[−ξ
2
i
/2]H
n
i

i
), E
i
= (n
i
+ 1/2)ω
i
n
1
= 0, 1, 2 . . .
ψ(x) =
_
α
1
α
2
α
3
2
n
1
+n
2
+n
3
n
1
!n
2
!n
3

3/2
exp[−(ξ
2
1
+ ξ
2
2
+ ξ
2
3
)/2]H
n

1
)H
n

2
)H
n

3
)
≡ N exp[−(ξ
2
1
+ ξ
2
2
+ ξ
2
3
)/2]H
n
1

1
)H
n
2

1
)H
n
3

1
)
E = (n
1
+ 1/2)ω
1
+ (n
2
+ 1/2)ω
2
+ (n
3
+ 1/2)ω
3
(2.11)
That in the isotropic case becomes E = (n
1
+ n
2
+ n
3
+ 3/2)ω.
2.2.4 Particle in a Magnetic Field
The Hamiltonian for a charged particle in a constant magnetic field, B (taken in the z-direction)
is (See Liboff 418. )
H =
1
2m
(p −eA)
2
=
1
2m
_
(p
x
+ eyB)
2
+ p
2
y
+ p
2
z
¸
(2.12)
where the magnetic field is related to the vector potential as A = (−yB, 0, 0) when the
z-axis is chosen along the magnetic field. The solution can be obtained as ψ = Aexp[i(k
x
x +
k
z
z)] f(y) and
Hψ =
1
2m
_
(k
x
+ eyB)
2
+ p
2
y
+ k
2
z
¸
ψ = Eψ,
1
2m
_
(k
x
+ eyB)
2
+ p
2
y
¸
f(y) =
_
p
2
y
2m
+
1
2
mΩ
2
(y + y
0
)
2
_
f(y) =
_
E −
k
2
z
2m
_
f(y) (2.13)
with Ω = eB/m the cyclotron frequency and y
0
= k
x
/eB. The equation for f is the one for
the harmonic oscillator, so the final solution is
ψ
n,kxkz
=
N
n

e
i(kxx+kzz)−ξ
2
/2
H
n
(ξ), E
n,kxkz
= (n + 1/2)Ω + k
2
z
/2m (2.14)
with ξ = α(y+y
0
)
2
, N
n
the normalization constant of the harmonic oscillator and α
2
= mΩ.
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

_
1
r
2

∂r
r
2

∂r
+
1
r
2
_
1
sin θ

∂θ
sin θ

∂θ
+
1
sin
2
θ

2
∂φ
2
__
ψ(r) + V (r)ψ(r) = Eψ(r) (2.15)
Taking ψ(r) = R(r)Y
lm
(Ω) = R(r)Θ(θ)Φ(φ) one obtains (see orbital momenta section in
the Angular momenta chapter) that

1

_
R

+
2
r
R

_
+ V
eff.
(r)R(r) = ER(r)
V
eff.
(r) = V (r) +
l(l + 1)
2µr
2
(2.16)
that can be rewritten in terms of R = u/r as

1

u

+ V
eff.
(r)u(r) = Eu(r) (2.17)
Given that R has to be finite 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)δ
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 Schr¨odinger eq. becomes
R

l
+
2
r
R

l

l(l + 1)
r
2
R
l
= −2µER
l
(r)
d
2

2
R
l
+
2
ρ
d

R
l

l(l + 1)
ρ
2
R
l
+ R
l
(r) = 0 (2.19)
2.3. CENTRAL POTENTIALS 67
with ρ = kr and k
2
= 2µE. This is the Spherical Bessel Eq. with general solution R
l
(r) =
A
l
j
l
(ρ) + B
l
n
l
(ρ) (the Spherical Bessel and Neuman functions. Arfken 622). The boundary
condition at r = 0 implies that B
l
= 0, so the solution is ψ
klm
= A
l
j
l
(kr)Y
lm
(θ, φ). This
wavefunction can be normalized as
_
drr
2
dΩψ

klm
ψ
k

l

m
= δ(k −k


ll
δ
mm

_

0
dρρJ
ν
(αρ)J
ν

ρ) =
1
α
δ(α −α

) (2.20)
where the last identity is valid for ν > −1/2 (Arfken 594) and it is used with j
l
(x) =
_
π/2xJ
l+1/2
(x) (Arfken 623) to obtain the normalized wavefunction
ψ
klm
=
_
2
π
kj
l
(kr)Y
lm
(θ, φ) →
_
2
π
1
r
sin(kr −lπ/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 Infinite 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
= 2µE), 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
l-th Spherical Bessel function: j
l
(x
nl
) = 0. Then the normalized solution is (see Appendix,
spherical Bessel function)
ψ
nlm
= A
nl
j
l
(x
nl
r/a)Y
lm
(θ, φ), [A
nl
[
−2
=
a
3
2
[j
l+1
(x
nl
)]
2
, E
nl
=
x
2
nl
2µa
2
(2.22)
l n 1 2 3 4 5
s π 2π 3π 4π 5π
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)π.
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 oversimplification), 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
2µa
2
E
nl
Perfect bag
1d
2d
1f
2f
1g
2g
Figure 2.1: ‘Perfect’ spherical bag spectra 2µa
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 difference is, of course due
to the lack of these very simple potential to reproduce the real one, where for example
the spin-orbit and spin-spin, etc. interactions have to be included (Cottingham 24 and
Townsend 296).
4. More applications are in hadronic physics where quarks are confined 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 differential equations, inside and
2.3. CENTRAL POTENTIALS 69
outside are, respectively
R

l
+
2
ρ
R

l

_
l(l + 1)
ρ
2
∓1
_
R
l
= 0 (2.23)
for r < a and r > a, respectively. The derivatives are taken with respect to ρ = kr for r < a
and ρ = αr for r > a. Besides k
2
= 2µ(V
0
+ E) ≥ 0 and α
2
= −2µE ≥ 0. The solution is,
taken into account the boundary conditions at the origin and at infinity
R
l
=
_
A
l
j
l
(kr) for r < a
B
l
h
(1)
l
(iαr) for r > a
(2.24)
given that h
(1, 2)
l
(iαr) → exp[±αr]. From continuity of the logarithmic derivative one has
that
ξ
j

l
(ξ)
j
l
(ξ)
= iη
h
(1)
l

(iη)
h
(1)
l
(iη)
(2.25)
with ξ = ka and η = αa (They are not independent but satisfy the relation ξ
2
+ η
2
= c
2
=
2µV
0
a
2
). This equation can be specialized to
ξ cot ξ = −η, l = 0
(1 + η)ξ
2
+ η
2
(1 −ξ cot ξ) = 0, l = 1
−9 + 4ξ
2
+ (9 −ξ
2
)ξ cot ξ
3 −ξ
2
−ξ cot ξ
= −
9 + 9η + 4η
2
+ η
3
3 + 3η + η
2
, l = 2 (2.26)
and so on.
1. Notice that in this case if c ≤
_
π/2 no a bound state are possible, contrary to the one
dimensional case. It corresponds to ξ = π/2, V
0
= k
2
/2µ, and E = 0 the ‘mouth of the
well’. The first equation (for l = 0) is exactly the same for the 1D finite well, for even
functions (R
1s
(0) ,= 0). η > 0, otherwise particles can be at infinite. ±η 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, ξ
nl
of these equations are obtained the energy spectra can be computed
as E
nl
= (−1 + ξ
2
nl
/c
2
)V
0
.
70 CHAPTER 2. SCHR
¨
ODINGER EQUATION 3D
c=2 ξ
1s
=1.895494
c=4 ξ
1s
=2.474577 ξ
1p
=3.471965
c=6 ξ
1s
=2.6788 ξ
2s
=5.22596 ξ
1p
=3.8115 ξ
1d
=4.8548
c=15 ξ
ns
=2.9440 5.8803 8.798 11.6744 14.4169
ξ
np
=4.20936 7.2236 10.1613 13.0186
ξ
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 finite bag.
The wavefunction is then, with its normalization condition
R
l
= A
l
_
j
l
(ξr/a) for r < a
_
j
l
(ξ)/h
(1)
l
(iη)
_
h
(1)
l
(iηr/a) for r > a
[A
l
[
2
a
3
_
_
_
1
0
[j
l
(ξx)]
2
x
2
dx +
¸
¸
¸
¸
¸
j
l
(ξ)
h
(1)
l
(iη)
¸
¸
¸
¸
¸
2
_
ξ
1
[h
(1)
l
(iηx)]
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

l

_
1
2
µ
2
ω
2
r
2
+
l(l + 1)
r
2
−2µE
_
R
l
= 0
_
d
2

2
+
2
ρ
d

−ρ
2

l(l + 1)
ρ
2
+ λ
_
R
l
(r) = 0 (2.28)
with ρ =

µω r, α
2
= µω and λ = 2E/ω. The solution can be written, using R =
exp[−ρ
2
/2] ρ
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
2µa
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
ρ
−ρ
_
W

−(3 + 2l −λ)W = 0
_
z
d
2
dz
2
+
_
2l + 3
2
−z
_
d
dz
+
1
4
(λ −2l −3)
_
W(z) = 0 (2.29)
with z = ρ
2
. The general solution is W = AF + BF/z
l+1/2
with a = −(λ − 2l − 3)/4 and
c = l + 3/2. Given that it has to be finite at the origin then B = 0 and
R
nl
= e
−ρ
2
/2
ρ
l
F
_
2l + 3 −λ
4
,
2l + 3
2
, ρ
2
_
(2.30)
Besides it has to vanish at infinity for a bounded state (all physical states have to be bounded
in this case). The asymptotic behavior is
R
nl
→ e
−ρ
2
/2
ρ
l
e
ρ
2

2
)
c−a
→∞ (2.31)
so one has that (2l + 3 − λ)/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)ω, with n
2S+1
L
J
.
ψ
nlm
= N
nl
e
−ρ
2
/2
ρ
l
F
_
−n,
2l + 3
2
, ρ
2
_
Y
lm
, E
n,l,m
= (2n + l + 3/2)ω
[N
nl
[
2
= 2(µω)
3/2
Γ(n + l + 3/2)
Γ(n + 1)Γ
2
(l + 3/2)
(2.32)
Examples are, for s-states
R
00
=
_
4

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
, R
10
=
_
6

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −
2
3
ρ
2
_
R
20
=
_
15
2

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −
4
3
ρ
2
+
4
15
ρ
4
_
R
30
=
_
35
4

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −2ρ
2
+
4
3
ρ
4

8
15 7
ρ
6
_
(2.33)
for p-states
R
01
=
_
8
3

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
ρ, R
11
=
_
20
3

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −
2
5
ρ
2
_
ρ
R
21
=
_
35
3

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −
4
5
ρ
2
+
4
35
ρ
4
_
ρ (2.34)
2.3. CENTRAL POTENTIALS 73
and for d-ones
R
02
=
_
16
15

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
ρ
2
, R
12
=
_
7 8
15

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
_
1 −
2
7
ρ
2
_
ρ
2
R
22
=
_
42
5

π
(µω)
3/2
_
1/2
e
−ρ
2
/2
ρ
2
_
1 −
4
7
ρ
2
+
4
7 9
ρ
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
/4π
0
r = −Zα/r. So one has to
solve the radial equation:
R

l
+
2
r
R

l
+
_
2µZα
r

l(l + 1)
r
2
+ 2µE
_
R
l
= 0
_
d
2

2
+
2
ρ
d

+
λ
ρ

l(l + 1)
ρ
2

1
4
_
R
l
(r) = 0 (2.36)
where λ = 2µZα/β, β
2
= −8µE > 0 (for bounded states) and ρ = βr. By transforming
R
l
= exp[−ρ/2]ρ
l
F(ρ) the equation becomes
ρF

+ [2(l + 1) −ρ] F

+ (λ −l −1)F = 0 (2.37)
again the Hypergeometric Confluent equation with a = l + 1 − λ and c = 2(l + 1). The
solution has to be finite at the origin, so one has that F = AF(l + 1 − λ, 2(l + 1), ρ). Given
that we are looking for atoms (bounded systems) the wavefunction has to be finite at infinity
so a = l + 1 − λ = −¯ n, with ¯ n = 0, 1, 2, . Then n ≡ λ = ¯ n + l + 1 = 1, 2, 3 and
the Energy becomes quantized: E
n
= −(µ/2)[Zα/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
−ρ/2
ρ
l
F(l + 1 −n, 2(l + 1), ρ)
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 final solution is, then (unfortunately several convention (see Liboff 439) have been
adopted for the Laguerre polynomials: The one adopted here R
nl
∼ L
2l+1
n−l−1
, 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
µ(Zα)
2
=
1
n
2
Hydrogenic atoms
1d
nd
1f
nf
1g
ng
Figure 2.4: Hydrogenic atoms spectra 2E
nl
/µ(Zα)
2
Merzbacher, Messiah, Liboff, Arfken, Abramowitz, AMS-55 chap. 22, etc. The other one is
R
nl
∼ L
2l+1
n+l
of Schiff, Landau, Pauli-Wilson, Bransden, Zettili, Tomonaga, etc. A third one is
adopted by Gradshteyn)
ψ
nlm
= N
nl
e
−ρ/2
ρ
l
L
2l+1
n−l−1
(ρ)Y
lm
[N
nl
[
2
=
(n −l −1)!
(n + l)!
4
n
4
a
3
ψ
Schiff
nlm
= −N
Schiff
nl
e
−ρ/2
ρ
l
L
2l+1
n+l
(ρ)Y
lm
¸
¸
N
Schiff
nl
¸
¸
2
=
(n −l −1)!
[(n + l)!]
3
4
n
4
a
3
E
n
= −
µ
2
_

n
_
2
, l < n = 1, 2, 3 (2.40)
with ρ = 2x/n = 2r/na, β = 2/na, a = a
µ
/Z, a
µ
= 1/αµ, the Bohr’s radio a
0
=
a

= 1/αm
e
= 0.529 177 208 3(19) 10
−10
m and the Rydberg energy R

= m
e
α
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
n−1

l=0
(2l + 1) = 2
n−1

l=0
l + n = 2
(n −1)n
2
+ n = n
2
(2.41)
Several radial wavefunctions are written bellow, for s-states
2.3. CENTRAL POTENTIALS 75
R
ns
=
2L
1
n−1
(2x/n) exp[−x/n]
n
5/2
a
3/2
µ
R
1s
=
2 exp[−x]
a
3/2
µ
R
2s
=
(1 −x/2) exp[−x/2]

2 a
3/2
µ
R
3s
=
2(3 −2x + 2x
2
/9) exp[−x/3]
3
5/2
a
3/2
µ
R
4s
=
(4 −3x + x
2
/2 −x
3
/48) exp[−x/4]
16a
3/2
µ
(2.42)
for p-states
R
np
=
2(2x/n)L
3
n−2
(2x/n) exp[−x/n]
n
5/2

n
2
−1 a
3/2
µ
R
2p
=
x exp[−x/2]

24 a
3/2
µ
R
3p
=
2

2 x(2 −x/3) exp[−x/3]
27

3 a
3/2
µ
R
4p
=
x(10 −5x/2 + x
2
/8) exp[−x/4]
32

15 a
3/2
µ
(2.43)
for d-states
R
nd
=
2(2x/n)
2
L
5
n−3
(2x/n) exp[−x/n]
n
5/2
_
(n
2
−4)(n
2
−1) a
3/2
µ
R
3d
=
2

2 x
2
exp[−x/3]
81

15 a
3/2
µ
R
4d
=
x
2
(6 −x/2) exp[−x/4]
384

5 a
3/2
µ
(2.44)
An interesting process that can happens, given than the wave function for the S-wave 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 → nν
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 first discussed by Gian-Carlo Wick in a 1934 paper, and then
developed by H. Yukawa and others. K-electron capture was first observed by Luis Alvarez, in
vanadium-48 in 1937. Alvarez studied electron capture in gallium-67 and other nuclides.
The formulas above can by applied to atomic systems with different 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)µ

. They were postulated in 1947. Bohr’s formula doesn’t works for large
Z due to ‘volume effects’ (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 µ 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 (µ
+
e

) [Rydberg atoms]. They were produced by the
first time in 1951 and 1960, respectively. These atoms are a clean test of QED (no strong
interactions are involved, at least at lowest orders). Unfortunately they are unstable,
although it is possible to measure their spectra.
5. Antiatoms [Rydberg atoms]. Mainly antihydrogen (¯ pe
+
): They were produced by the
first time at Cern in 2000. Other combinations have been produced like (Z = 2)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 Nπ

, NK

, N¯ p, NΣ

,
π

π
+
, 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 first kind are π · u
¯
d, K · u¯ s,
etc. [PDG]. Of the second kind we have J/ψ · c¯ c, Υ · b
¯
b, B
c
= b¯ c, etc. [PDG].
System E
I
ν
2s−1s
[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
0.8µm
Muonic a. (Nµ) 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 (µ
+
e

) 13.6 eV 2.4 10
15
0.8
˚
A


3.8 keV 6.7 10
17
290 fm
π

π
+
1.9 keV 2 10
19
570 fm
c¯ c, b
¯
b 200 MeV 2.4 10
22
0.8-2.7 fm
Table 4: E
n
= −(µ/2)(Zα/n)
2
, ν
2s−1s
= 3(Zα)
2
µ/16π and r = 3n
2
c/2Zαµ.
2.3. CENTRAL POTENTIALS 77
Coulomb potential, continuous case
The radial part of the SE, for the Coulomb potential is
_
d
2
dr
2
+
2
r
d
dr

l(l + 1)
r
2
+ k
2
+ 2m

r
_
R
l
= 0 (2.45)
with V = −Zα/r and k
2
= 2mE. Defining ρ = 2kr and λ = Zαm/k it becomes
_
d
2

2
+
2
ρ
d


l(l + 1)
ρ
2
+
1
4
+
λ
ρ
_
R
l
= 0 (2.46)
Transforming to the new function R
l
= ρ
l
exp[±iρ/2]F one obtains
F

+
_
±i +
2(l + 1)
ρ
_
F

+
λ ±i(l + 1)
ρ
F = 0 (2.47)
If now a new variable is used x = ∓iρ then
F

+
_
−1 +
2(l + 1)
x
_
F


l + 1 ∓iλ
x
F = 0 (2.48)
and the solution is F = F(l + 1 ∓ iλ, 2l + 2, ∓iρ). The general solution, regular at the origin
is F = ρ
l
[fF(l + 1 − iλ, 2l + 2, −iρ)e
iρ/2
+ gF(l + 1 + iλ, 2l + 2, iρ)e
−iρ/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, β →ik, ρ →2ikr and λ →−iλ
R
kl
= c
l
ρ
l
e
−iρ/2
F(l + 1 + iλ, 2l + 2, iρ)
R
kl
→ c
l
Γ(2l + 2)
_
e
−iρ/2
Γ(l + 1 −iλ)
(−i)
−(l+1+iλ)
ρ
−1−iλ
+
e
iρ/2
Γ(l + 1 + iλ)
i
−(l+1−iλ)
ρ
−1+iλ
_
f(θ) =

l
2l + 1
2ik
_
e
2iδ
l
−1
_
P
l
=
1
2ik

l
(2l + 1)
Γ(l + 1 −iλ)
Γ(l + 1 + iλ)
P
l
e
2iδ
l
=
Γ(l + 1 −iλ)
Γ(l + 1 + iλ)
(Landau600) (2.49)
giving the F(a, c, z) → (Landau d.14) defining the partial phase for the Coulomb potential as
δ
l
= arg (Γ(l + 1 −iλ)) one has that
R
kl

c
l
Γ(2l + 2)
[Γ(l + 1 + iλ)[
e
−λπ/2
sin (kr + λlog(kr/2) −lπ/2 + δ
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 −lπ/2)
kr
P
l
c
l
= A
(2l + 1)i
l
[Γ(l + 1 + iλ)[
Γ(2l + 2)
e
πλ/2
=
[Γ(l + 1 + iλ)[

V (2l)!
i
l
e
πλ/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 =
(π/2)δ(k −k

) has been used. The regular wavefunction is then
ψ =

l
[Γ(l + 1 + iλ)[

V (2l)!
i
l
e
λπ/2
(2kr)
l
e
−ikr
F(l + 1 + iλ, 2l + 2, 2ikr)Y
lm
(2.52)
and (Γ(z + 1) = zΓ(z), Γ(n + 1) = n! and Γ(z)Γ(1 − z) = π/ sin(πz), [Γ(1 + iλ)[
2
e
πλ
=
2πλ/(1 −e
−2πλ
)
[R
ns
(0)[
2
=
[Γ(1 + iλ[
2
V
exp(πλ) =
1
V
2πλ
1 −e
−2πλ
[R

np
(0)[
2
=
[Γ(2 + iλ[
2
4V
exp(πλ)(2k)
2
=
k
2
V
(1 + λ
2
)
2πλ
1 −e
−2πλ
(2.53)
2.4. SCHR
¨
ODINGER EQ. (3D) EXERCISES 79
2.4 Schr¨ odinger Eq. (3D) exercises
2.4.1 CM motion
1. Work out the separation between CM and relative coordinates in the case of N particles
(see Bransden AM 642 and Park).
2. Get the total energy of a diatomic molecule in a gas at temperature T. A: E
T
= E
CM
+E,
E
T
= (3 + 2 + 2)(k
B
T/2) and E = 2E
0
= −2R

. E
T
= 7k
B
T/2 −2R

.
2.4.2 Cartesian coordinates
Infinite well
3. Sketch the energy levels and their degeneracy for an infinite well in the case of, for example
2a = b = c.
4. For an an infinite 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 confined in
an atom, 3) nucleon inside a nucleia, 4) quark inside nucleon, etc.
A: In order to make an estimate one can assume the specific 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)(π/a)
2
[n
2
1
+ n
2
2
+ n
2
3
] ∼ (3/2m)(π/a)
2
n
2
so ∆E
n
= (3/m)(π/a)
2
n∆n.
Taking n ∼ ∆n ∼ 1 ∆E
n
= (3/m)(π/a)
2
(c)
2
. Thus a) ∆E
n
= (3/Am
p
)(π/a)
2

(3/1 GeV)[π/1 m]
2
0.039 (GeV fm)
2
∼ 1.2 10
−21
eV!, b) ∆E
n
= (3/m
e
)(π/2a
0
)
2

(3/0.5 MeV)[π/1 10
−10
m]
2
0.039 (GeV fm)
2
∼ 231 eV, c) ∆E
n
= (3/m
p
)(π/r
N
)
2

(3/1 GeV)[π/1 fm]
2
0.039 (GeVfm)
2
∼ 1 GeV, d) ∆E
n
= (3/m
q
)(π/r
N
)
2
∼ (3/0.3 GeV)[π/1 fm]
2

0.039 (GeV fm)
2
∼ 4 GeV.
6. Show that (p − eA)
n
ψ = (−i∇ − eA)
n
ψ = (−i)
n
(∇ + ieA)
n
ψ = (−iD)
n
ψ (been D =
∇− ieA, the so called ‘covariant’ derivative) is covariant ((p − eA)
n
ψ → e
if
(p − eA)
n
ψ
)under a ‘gauge’ transformation: eA →eA +∇f and ψ →e
if
ψ, for any function f.
A: (p−eA)ψ = (−i∇−eA)ψ →[−i∇−eA−(∇)f]e
if
ψ = e
if
[−i∇+(∇f)−eA−(∇f)]ψ =
e
if
[−i∇−eA]ψ. Now one can repeat the procedure n times to show what it is asked.
7. Obtain the average energy for an ensamble of identical non interacting particles at tem-
perature T. The ideal gas.
A: < E >= −

∂β
log Z, with β = 1/k
B
T. The partition function is
80 CHAPTER 2. SCHR
¨
ODINGER EQUATION 3D
Z =

n
e
−βEn
=

n
1
, n
2
, n
3
exp
_

βπ
2
2m
_
_
n
1
a
_
2
+
_
n
2
b
_
2
+
_
n
3
c
_
2
__
·
¸
m
3
a
2
b
2
c
2

3
β
3
=
const.
β
3/2
(2.54)
and < E >= 3k
B
T/2
Finite well
8. Solve the cases of ideal Quantum well (a particle confined to one dimension but free in the
other two), a Quantum wire (a particle confined in two dimensions but free in the other
one) and a Quantum dot (a particle confined in all three dimensions: a perfect box).
A:
E
kxkyn
=
1
2m
_
k
2
x
+ k
2
y
+
_

z
a
_
2
_
, E
njkz
=
1
2m
_
_

x
a
_
2
+
_

x
b
_
2
+ k
2
z
_
,
E
njl
=
1
2m
_
_

x
a
_
2
+
_

y
a
_
2
+
_

z
c
_
2
_
(2.55)
9. Solve the finite 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 ω
x
= ω
y
= ω
z
/2 ≡ ω/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
field, V = (m/2)[ω
2
1
x
2
+ ω
2
2
y
2
+ ω
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
¨
ODINGER EQ. (3D) EXERCISES 81
14. Show the ‘Virial Theorem’
A: The expectation value of an operator independent of time is constant so
0 =
d
dt
< r p >= i < [H, r p] >, 2 < K >=< r ∇V (r) > (2.56)
Infinite isotropic well
15. For an an infinite isotropic 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.
16. Assuming Deuterium is a perfect bag, with a radio of 1 fm, what is the energy of the first
exited level. Do the same with the π, J/Ψ, Υ.
A: E = x
2
nl
/2µa
2
= π/m
p
a
2
· 0.41 GeV. a = A
1/3
1.07 fm.
Finite isotropic well
17. For large nucleus one can use the ‘Fermi gas’ model to predict their spectra. Show that
this can explain the ‘magic numbers’(Eisberg 575, Townsend 296-7: table 10.13): Nuclei
with Z and/or N = A −Z = 2, 8, 20, 28, 50, 82, 126 are specially stable. What are the
predictions assuming a perfect bag, harmonic oscillator, finite bag, etc.
A: Perfect bag: 2, 8, 18, 20, 34, 40, 58
18. The ‘ionization’ energy of Deuterium is E
1l
= −2.2245 MeV (Eisberg?, Townsend?). One
can estimate its radio to be a = 1.7 fm. If one approximate the potential energy by a
spherical bag, show that V
0
= 35 MeV.
A: Assuming c · 2, ξ
1s
· 1.89, so E
nl
= V
0

2
nl
/c
2
− 1) so V
0
= 20.6 MeV, and a =
cc/

2µV
0
· 2.8 fm.
19. For the 3-D 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
/2µ >=< rµω
2
r > then < p
2
>= α
4
< r
2
>. < E >=< p
2
/2µ > +(1/2)µω
2
<
r
2
> and 2µ(2n+l +3/2)ω = α
4
< r
2
> +α
4
< r
2
>. Finally < r
2
>= (2n+l +3/2)/α
2
,
< p
2
>= (2n + l + 3/2)α
2
, < v
2
>= (2n + l + 3/2)ω/µ and v
rms
=
_
(2n + l + 3/2)ω/µ
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: H-He, OK. 2s − 2p: 8 states:
Li-Ne, OK. 3s −3d: 10 states, wrong: real 8 states: Na-Ar. [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
α
(λ = 6562.8
˚
A) line have a
second one, due to Deuterium shifted by 1.8
˚
A. Similarly the H
β
(λ = 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: ω = (µ/2)(Zα)
2
[1/n
2
1
− 1/n
2
2
] = 2π/λ so λ
a

b
= µ
b

a
, and (∆λ/λ)

= (λ


λ

)/mbda

= (∆λ/λ)
H
β
= 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 (2γ 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 ν
LS
2s−1s
= 468(13) eV [Rydberg atoms]
Element ν
exp.
[Mhz] ν
theo.
ν
theo.
[Mhz]
ν
H
(2S
1/2
−1S
1/2
) 2466 061 413.187 103 (46) 2466 061 413.187 103(46) 2466 038 692

D
−ν
H
)(2S
1/2
−1S
1/2
) 670 994.334 64 (15) 670 994.334 64(15) 671 340
ν
µ
+
e
−(2S
1/2
−1S
1/2
) 2455 528 941.0(98) 2455 528 935.4(14) 2455 506 096
A: ∆E = (3µ/8)(Zα)
2
= 2πν
2s−1s
, so ν
2s−1s
= 3m
e
α
2
/[16π(1 + m
e
/m
p
)]. Similarly
ν
D
−ν
H
= 3m
e
α
2
/(16π)[1/(1 + m
e
/2m
p
) −1/(1 + m
e
/m
p
)]
26. ‘Quarkonium’ is a bound state of two heavy quarks Q
¯
Q

bounded by a potential that can
be approximate as V = −4α
s
/3r. Estimate α
s
and the radii from the energy separation
between the first two levels. For charmonium we have m
J/ψ
= 3096.87 MeV y m
ψ(2s)
=
3685.96 MeV, while for bottomonium m
Υ(1s)
= 9460.3 MeV and m
Υ(2s)
= 10023.26 MeV.
A: A. E
n
= 2m
Q
− (µ/2)(4α
s
/3n)
2
so ∆m = m
Q
α
2
s
/3 and α
s
=
_
3∆m/m
Q
. For
Charmonium α
s
=
_
3∆m/m
c
= 1.2 (m
c
= 1.2 GeV) and a
µ
= 3/4α
s
µ = 3c/2α
s
m
c
=
0.29 fm. For Bottomonium α
s
=
_
3∆m/m
b
= 0.6 (m
b
= 4.3 GeV) and a
µ
= 3/4α
s
µ =
3c/2α
s
m
b
= 0.16 fm.
2.4. SCHR
¨
ODINGER EQ. (3D) EXERCISES 83
27. Compare the force between the electron and the nuclei in the hydrogen atom, with that
due to an external gravitational field le the state n = 2, for a hydrogenate atom.
28. What is the correction, if any introduced by the gravity to the hydogenic atoms by
computing the relation between V
grav.
/V
Coul.
.
A: Gm
1
m
2
/αc · 4.7 10
−40
!
29. Given that the gravitational interaction has the form of the Coulomb one, compute the
quantum number n, for a macroscopic system like the earth.
A: Sun-earth: E = (m
T
/2)(2πr/T)
2
− Gm
S
m
T
/r · (2.7 − 5.3) 10
33
J=-2.6 10
33
J.
Now E = −(m
T
/2)(Gm
T
m
S
/cn)
2
so n =
_
m
T
c
2
/2E (Gm
T
m
S
/c) · 2.5 10
74
Earth-
moon: E = (m
L
/2)(2πr/T)
2
− Gm
T
m
L
/r · (3.92 − 7.62) 10
28
J=-3.7 10
28
J. n =
_
m
L
c
2
/2E (Gm
L
m
T
/c) · 2.9 10
68
30. Given that the gravitational interaction has the form of the Coulomb one, compute the
ground energy and the radii for the ‘atoms’: a) two black holes as heavy as the sun, b) a
black hole and the earth, c) a black hole and a proton and d) two neutrons.
A: Zα → Gm
1
m
2
= Gm
1
m
2
/c, E
n
= −(µc
2
/2)(Gm
1
m
2
/cn)
2
and r = (3n
2
/2)
c/Gm
1
m
2
µ
System E
I
r
2BH 3.6 10
198
J 5.6 10
−149
m
BH-E 1.9 10
182
J 3 10
−138
m
BH-n 2.7 10
40
MeV 5.2 10
−35
m
2n 9.8 10
−69
eV 9 10
22
m
31. Obtain ψ
nlm
(r = 0). L
1
n−1
(0) = n
A : [ψ
nlm
(r = 0)[
2
= [N
n0
[
2
[L
1
n−1
(0)[
2
[Y
00
[
2
δ
l0
=
4
n
5
a
3
_
L
1
n−1


_
2
=
1
π
_
1
na
_
3
(2.57)
and [ψ
nlm
(r = 0)[
2
= (Zαµ/n)
3
/π = (Z/na
µ
)
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
/2µ >=< r Zα/r
2
> then < p
2
>= µZα < 1/r >.
< E >=< p
2
/2µ > −Zα < 1/r > and −(µ/2) (Zα/n)
2
=< p
2
> /2µ − Zα < 1/r >.
Finally < 1/r >= Z/n
2
a
µ
, < p
2
>= (µZα/n)
2
, < v
2
>= (Zα/n)
2
and v
rms
= Zα/n
33. Show that (for s > −2l −1, Liboff 452, Arfken p. 729, Bransden AM 610!!)
Hint: Multiply the Schr¨odinger 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

R

dr = −
s + 2
2
_

0
drr
s+1
(R

)
2
,
_

0
drr
s
R

R = −
s
2
< r
s−3
>
_

0
drr
s+1
R

R =
1
2
s(s + 1) < r
s−3
> −
_

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
s−1
> −
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
s−2
> +
1
2
l(l + 1)s < r
s−3
>
+
s + 2
2(na)
2
< r
s−1
> +c
_
s
2
(s + 1) < r
s−3
> −
_

0
drr
s+1
(R

l
)
2
_
−cs < r
s−3
>
+c
_
2
a
< r
s−2
> −l(l + 1) < r
s−3
> −
< r
s−1
>
(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
s−1
>
1
(na)
2

2s −1
a
< r
s−2
> +
s −1
4
_
(2l + 1)
2
−(s −1)
2
¸
< r
s−3
>= 0
s + 1
(na)
2
< r
s
> −
2s + 1
a
< r
s−1
> +
s
4
[(2l + 1)
2
−s
2
] < r
s−2
>= 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
¨
ODINGER EQ. (3D) EXERCISES 85
34. Obtain r
−1
nlm
, r
−2
nlm
and r
−3
nlm
From Bethe-Salpeter, pag. 13-17.
< r
ν
> =
_
n
2Z
_
ν
J
ν+1
n+l,2l+1
J
1
n+l,2l+1
with
J
σ
λ,µ
=
λ!
(λ −µ)!(s + 1)!
s

r=0
(−1)
s−γ
_
s
γ
__
λ −µ + γ
s
_
_
µ + s −γ
s + 1
_ , σ = −(1 + s) ≤ −1
It can be shown by using the Feynman-Hellman theorem, and using recurrence relations.
35. Obtain I
α
nk,n

k
=
_

0
d ρ e
−ρ
ρ
α
L
k
n
(ρ)L
k

n
(ρ) (Bransden AM 610)
36. Obtain the expectation value of v = p/m (the velocity vector), for a hydrogenic atom in
its ground state.
Hint: ∇ = ˆ u
r
∂/∂r + ˆ u
θ
(1/r) ∂/∂θ + ˆ u
φ
(1/r sin θ) ∂/∂φ, and ψ
1,0,0
= Aexp(−r/a
µ
)
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
] = iδ
ij
.
2. In general these operators O are realized or represented on Hilbert spaces and are diago-
nalized Oψ
n
= λ
n
ψ
n
: the eigenvalues, λ
n
and eigenvectors ψ
n
.
3. A Hilbert space, H is then expanded by the elements or vectors ψ =

n
a
n
ψ
n
(finite
or infinite) (or [ψ >=

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 defined in such that for each element ψ (or [ψ >) in H one associate a unique
element of the Dual space, noted as ψ

(or < ψ[, the ‘bra’ in the Dirac notation).
6. An scalar, inner or ‘dot’ product is defined: < ψ[φ >, or bracket in the Dirac notation.
7. Hilbert spaces are then of special interest in QM and Physics, like the following two
examples
(a) Euclidean spaces, C
n
, whose elements are the usual column complex vectors, [x >
the corresponding dual is the hermitian conjugate file, < x[ ≡ [x >

and the inner
or ‘dot’ product:
[x > =
_
_
_
x
1
.
.
.
x
n
_
_
_
, < x[ =
_
x

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 ψ(x), the dual is the complex
conjugate and the inner product is < ψ[φ >=< ψ, φ >=
_
ψ

(x)φ(y)dµ(x), where
µ(x) is a given measure. A very common case in QM are functions like those of the
Sturm-Liouville 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) < ψ[φ >=< φ[ψ >

(b) ([ψ
1
> +a[ψ
2
>)

([ψ
3
> +b[ψ
4
>) =< ψ
1

3
> +b < ψ
1

4
> +a

< ψ
2

3
>
+a

b < ψ
2

4
>.
(c) Norm: each element has a norm, 0 ≤ [ψ[
2
=< ψ[ψ >.
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 >= δ
nm
(like the usual unitary vectors in
n-dimensions, the eigenfunctions of a given operator ψ
n
(x), etc.) and
(b) any element of H can be written in a unique way as [ψ >=

n
a
n
[n > with a
n
=<
n[ψ >.
(c) An equivalent form of completeness is

n
[n >< n[ = 1 .
(d) or in the version of functions
ψ(x) =

n
a
n
ψ
n
(x) with a
n
=< n[ψ >=
_
ψ

m
(x)ψ(x) and equivalently δ(x − y) =

n
ψ
n
(x)ψ
m
(y)

.
(e) One example is the case of the infinite potential well, where completeness means,
2
a

n=1
sin
_
nπx
a
_
sin
_
nπy
a
_
= δ(x −y) (3.2)
(f) Another meaning of completeness is as follows: Every Cauchy sequence (a sequence
such that [ψ
n
− ψ
l
[ → 0 when n and l tend to infinity) 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):
[ < ψ
1

2
> [ ≤ [ψ
1
[ [ψ
2
[, cos θ =
[ < ψ
1

2
> [

1
[ [ψ
2
[
(3.3)
Notice that one can define, then the ‘angle’ between any two vectors.
Proof:
(a) Let ψ = [ψ
1
> +a[ψ
2
>, then
(b) [ψ[
2
= [ψ
1
[
2
+ a

< ψ
2

1
> +a < ψ
1

2
> +[a[
2

2
[
2
≥ 0.
(c) Choosing a = − < ψ
2

1
> /[ψ
2
[
2
and replacing
(d) [ψ[
2
= [ψ
1
[
2
−[ < ψ
1

2
> [
2
/[ψ
2
[
2
≥ 0 that is the Schwarz identity.
3.1.2 Operators
Now we can define 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: ψ = fφ. Special case are the Linear
operators: those that satisfy the relation f(aψ
1
+ bψ
2
) = afψ
1
+ bfψ
2
. Antilinear Operators
are those satisfying f(aψ
1
+ bψ
2
) = a


1
+ b


2
. Several properties are
1. The eigenvalues and eigenvectors of an operator f are defined as fψ
n
= f
n
ψ
n
. Important
cases are
ˆ x[x >= x[x >, ˆ p[p >= p[p >,
ˆ
H[E >= E[E > (3.4)
and ψ(x) ≡< x[ψ >, ψ(p) ≡ (2π)
3/2
< p[ψ > and ψ
n
(x) ≡ (2π)
3/2
< n[ψ >.
2. Adjoint operator, or Hermitian conjugate (f

): It is defined as < ψ[f

[φ >=< φ[f[ψ >

(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) [ψ >

=< ψ[
(c) (f[ψ >)

=< ψ[f

(d) (fg)

= g

f

.
(e) Transpose Operator is defined as < ψ[f
T
[φ >=< φ[f[ψ > (or f
T
nl
= f
ln
) is defined
as.
3. For any operator its matrix elements are defined as f
nm
≡< n[f[m >=
_
dx ψ

n

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
ψ
n
(x)ψ

n
(y). Is this possible by the Spectral Theorem by von Neuman.
5. Projection operators: Defined as P
n
= [n >< n[. They satisfy the following properties:
(a) P
n
P
m
= δ
nm
P
n
. P
n
P
m
= [n >< n[m >< n[ = [n > δ
nm
< n[ = δ
nm
P
n
(b)

n
P
n
= 1
(c) P
n
= Π
j=n
[f −f
j
]/[f
n
−f
j
]
Hermitian Operators
Hermitian Operators are those such that A

= A, or in the matrix form (A
nm
=< n[A[m >=
(< m[A[n >) = 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

f

= gf = fg if and only if they commute.
3. F + F

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 >=< ψ[A[ψ >=< ψ[A

[ψ >

=< ψ[A[ψ >

=< A >

(3.5)
QED. The second case a particular case (when [ψ > 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

)[n >= 0. Thus,
if f
n
,= f
m
the two eigenvectors have to be orthogonal: < m[n >= 0.
7. The eigenfunction of an Hermitian operator form a complete set: Any well behaved
(at least piecewise continuous) f(x) can be approximate with any precision (such that
lim
m→∞
_
b
a
[f(x) −

m
n=0
a
n
ψ
n
]
2
w(x)dx = 0)by a series like f(x) =

n
a
n
ψ
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
δ
nm
. Given that < m[n >= δ
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 infinite 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 α
_
_
_
_
_
_
_
0

1 0 0

1 0

2 0
0

2 0

3
0 0

3 0
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
, p =


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 defined as f → f

= UfU

, with UU

= 1 and
ψ →Uψ 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 configuration(normal) spaces
Of particular interest are the space and momenta representations, where the operators, their
eigenvalues and their eigenfunctions are defined as: ˆ x[x >= x[x > and ˆ p[p >= p[p >. The
wavefunction is then defined as ψ(x) =< x[ψ > and ψ(p) = (2π)
3/2
< p[ψ > in the space
and momenta representations, respectively. On another side < x[ ˆ p[p >= p < x[p > and
ˆ p < x[p >= −i∇ < x[p >= p < x[p >, whose solution is < x[p >= exp[ip x]/(2π)
3/2
92 CHAPTER 3. QUANTUM MECHANICS FORMALISM
where the normalizing condition < x[y >= δ(x − y) was used. Thus one obtain the Fourier
transformation relation
ψ(p) = (2π)
3/2
< p[ψ >= (2π)
3/2
_
dx < p[x >< x[ψ >=
_
dxe
−ip·x
ψ(x)
ψ(x) =< x[ψ >=
_
dp < x[p >< p[ψ >=
_
dp
(2π)
3
e
ip·x
ψ(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)
Hψ(p) =
_
p
2
2m
+ iF

∂p
_
ψ(p) = Eψ(p)
ψ(p) = C exp[i(p
3
/6m−Ep)/F]
ψ(x) = C

_

0
dp cos[px −Ep/F + p
3
/6m] = π(2mF)
1/3
Φ[(2mF)
3/2
(x −E/F)] (3.8)
Harmonic oscillator, momentum space
As an example one can solve the harmonic oscillator in p-space as follows:
Hψ(p) =
_
p
2
2m
+
1
2

2
x
2
_
ψ(p) =
_
p
2
2m

1
2

2

2
∂p
2
_
ψ(p) = Eψ(p) (3.9)
that has the same form of the Schr¨ odinger Equation in the space representation. Taking
p = αz the equation becomes
d
2
ψ
dz
2
+ [λ −z
2
]ψ = 0 (3.10)
with λ = 2E/ω = 2mE/α
2
, α
2
= mω. The normalized wavefunction, in momenta space is
then (Boundary conditions in this case is that ψ(p →±∞) = 0)
ψ
n
(p) =
¸
1
2
n
αn!

π
exp[−z
2
/2]H
n
(z) ≡ A
n
exp[−z
2
/2]H
n
(z) E
n
= (n + 1/2)ω n = 0, 1, 2 . . . (3.11)
3.1. MATHEMATICAL FRAMEWORK 93
Harmonic Oscillator, Matrix formulation
In order to solve the Harmonic oscillator let us define the ‘creation’ or ‘rising’ and ‘annihilation’
or ‘lowering’ operators (‘ladder’ operators) and its commutator ([x, p] = i, α
2
= mω, ξ = αx)
x =
1

2 α
_
a + a

_
, p =


2
_
a

−a
_
, a =
α

2
_
x +
ip
α
2
_
, a

=
α

2
_
x −
ip
α
2
_
(3.12)
and [a, a

] = 1. The hamiltonian can be rewritten
H =
p
2
2m
+
1
2

2
x
2
=
_
a

a +
1
2
_
ω =
_
N +
1
2
_
ω (3.13)
where N is the hermitian ‘Number operator’ as N = a

a.
[H, a] = −ωa, [H, a

] = ωa

, [N, a] = −a, [N, a

] = a

(3.14)
The eigenvectors and eigenvalues of N are defined as N[n >= n[n >, and are eigenvectors
and eigenvalues of H too: H[n >= (n + 1/2)ω[n >= E
n
[n > (E
n
= (n + 1/2)ω). 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 >= γ
n
[n + 1 > (so a

is called the ‘rising’ operator), with γ
n
a constant obtained
by normalizing the states: < n[aa

[n >= [γ
n
[
2
=< n[a

a + 1[n >=< n[N + 1[n >= n + 1, and
γ
n
=
_
E
n
/ω −1/2 =

n + 1. Doing the same for the ‘lowering’ operator it is obtained that
a

[n >=

n + 1[n + 1 >, a[n >=

n[n −1 > (3.16)
Now, given that E =< H >=< p
2
> /2m + mω
2
< x
2
> /2 = (< N > +1/2) ω =
(n + 1/2)ω ≥ 0 and n ≥ −1/2. Taking the ground state as [n
0
> on has that a[n
0
>=

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)ω as it has to be. What happened to the boundary conditions?, didn’t we need
them?
The wavefunction, ψ
n
(x) ≡< x[n > can be obtained too. Starting with the ground state:
0 =< x[a[0 >=< x[
α

2
_
x +
ip
α
2
_
[0 >=
α

2
_
x +
1
α
2
d
dx
_
ψ
0
(3.17)
94 CHAPTER 3. QUANTUM MECHANICS FORMALISM
so ψ
0
has to satisfy the equation ψ

0
= −α
2

0
, which solution is ψ
0
=
_
α/

π exp[−ξ
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.: ψ
1
=< x[1 >=< x[a

[0 >=
_
α/

2
_
(xψ
0
+ ψ

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
+

2
2
x
2
=
1
2m
_
α
2
2
_
_
_
_
_
_
_
_
1 0 −

2 0
0 3 0 −

6


2 0 5 0
0 −

6 0 7
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
+

2
2
1

2
_
_
_
_
_
_
_
1 0

2 0
0 3 0

6

2 0 5 0
0

6 0 7
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
_
_
_
_
_
_
_
=
ω
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 confirmed 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
] = iδ
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 ψ =

n
a
n
ψ
n
, where ψ
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 ∆f∆g ≥
[ < h > [/2. The proof goes as follows:
3.2. QUANTUM MECHANICS FORMALISM 95
(∆f)
2
≡< ψ[(δf)
2
[ψ >= [δf[ψ >[
2
(3.19)
with δf = f− < f >. Multiplying them one obtains that
(∆f)
2
(∆g)
2
= [δf[ψ >[
2
[δg[ψ >[
2
≥ [< δfψ[δg[ψ >[
2
= [< ψ[δfδg[ψ >[
2
=
1
4
[< ψ[ ¦δf, δg¦ + [δf, δg] ψ >[
2
=
1
4
[< ψ[ ¦δf, δg¦ + ih[ψ >[
2

1
4
[ < h > [
2
(3.20)
3.2.2 Postulate II
There exists a vector ψ (continuous and differentiable) containing all the physical information
of the system. Besides < f >=< ψ[f[ψ >, for any Observable. If the system is in the sate ψ
the probability to find it in the state φ is [ < φ[ψ > [.
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 Schr¨odinger picture the vectors evolve in time, while the operators are constant. The
time evolution of the system is driven by the Hamiltonian: i∂[ψ(t) >
S
/∂t = H[ψ(t) >
S
and
[ψ(t) >
S
= exp[−itH][ψ(0) >
S
≡ U(t)[ψ(0) >
S
, f(t) = f(0) (3.21)
The expectation values (< f >=< ψ[f[ψ >) evolve as
i
d < f >
dt
=< [f, H] > +i
_
∂f
∂t
_
(3.22)
Noether’s Theorem: One can see that Constants of motion are obtained if two condi-
tions are satisfied: 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 Newton’s 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 finally 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
˙
Ψ = HΨ, H = M −
i
2
Γ =
_
M
11

i
2
Γ
11
M
12

i
2
Γ
12
M
21

i
2
Γ
21
M
22

i
2
Γ
22
_
=
_
A p
2
q
2
A
_
,
q
p
=
¸
M

12
−iΓ

12
/2
M
12
−iΓ
12
/2
=
V

tb
V
td
V
tb
V

td
= e
−2iβ
for q = d (3.26)
with M and Γ hermitian, and CPT implies that M
11
= M
22
. And Their eigenvalues and
eigenfunctions are

hl
= E
hl
Ψ
hl
E
hl
= A ±pq = m
h,l

i
2
Γ
h,l
Ψ
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
Ψ(t) = a
h
e
−iE
h
t
Ψ
h
+ a
l
e
−iE
l
t
Ψ
l
(3.28)
For a given initial conditions at t = 0 like
Ψ(t = 0) = [X
0
) =
_
1
0
_
¯
Ψ(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)
Ψ(t) = [X
0
(t) >= g
+
(t)[X
0
> +
q
p
g

(t)[
¯
X
0
>,
¯
Ψ(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
−Γ
h
t/2
e
−iE
h
t
[1 ±e
−i∆Γt/2
e
−i∆mt
] =
1
2
e
iAt
[e
−ipqt
±e
ipqt
] (3.30)
where ∆m ≡ E
h
−E
l
, ∆Γ ≡ Γ
h
−Γ
l
, been defined as positive
Heisenberg Picture
In this case the vectors are constant while the operators evolve in time
[ψ(t) >
H
= [ψ(0) >= e
iHt
[ψ(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) = −mω
2
ˆ 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
= −iωa,
da

dt
= iωa

a(t) = a(0)e
−iωt
, a

(t) = a

(0)e
iωt
(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 ωt +
p(0)

sin ωt
p(t) = −mωx(0) sin ωt + p(0) cos ωt (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
[ψ(t) >
I
≡ e
iH
0
t
[ψ(t) >
S
, f
I
= e
iH
0
t
f
S
e
−iH
0
t
[ψ(t) >
I
= e
−iH

t
[ψ(0) >
I
, i
df
I
dt
= i
∂f
I
∂t
+ [f
I
, H] (3.35)
and < ψ[f[ψ >
I
=< ψ[f[ψ >
H
=< ψ[f[ψ >
S
.
3.3 Interpretation
1. From the very begin QM interpretation in several cases has been a very controversial and
difficult 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 (2γ emission) for the hydrogen atom was measured to be
ν
2s−1s
= 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
(hyperfine, 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 different 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 difficult, unexpected or controversial.
3.3. INTERPRETATION 99













Figure 3.1: Quamtum jumps [Bell].
1. Take ρ = [ψ[
2
as the probability density (Born-Schr¨ odinger). ψ 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 final 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
+
→µ
+
ν
µ
63.51 % K
+
→π
+
π
0
21.16 %
K
+
→π
+
π
+
π

5.6 % K
+
→π
0
µ
+
ν
µ
3.2 %
K
+
→π
+
π
0
π
0
1.7 % K
+
→e
+
ν
e
1.55 10
−5
K
+
→π
+
µ
+
µ

8 10
−8
K
+
→π
+
ν¯ ν 2 10
−10
Table 1: Several Branching ratios for the K
+
- decay. Its lifetime is τ
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 (Bohr-Einstein discus-
sions). The use of probability is not like in Statistical Mechanics but it is at a more
fundamental level.
4. Complementarity or wave-particle duality (Bohr at lake Como conference in 1927). The
wave-particle duality it is illustrated by one or more slits like gratings (crystals) diffraction
and interference experiments [7, 6, Q and Classical].
100 CHAPTER 3. QUANTUM MECHANICS FORMALISM
5. The observer (Observers role) may affect the result of a measurement. Collapse of the
wavefunction [QM observer]. If before the measurement the wavefunction is ψ =

n
a
n
ψ
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 ψ
n
!.
6. Correspondence principle (n →∞), Quantum to classical [QM paradoxes, Q and Classical].
coherence and decoherence. Entanglement. Teleportantion. Quantum computation.
Quantum Cryptography. Schr¨ odinger’s 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 Ocam’s razor
principle (1285-1349): ‘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 Bohm-DeBroglie 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 Ocam’s 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. Many-worlds: (see B. DeWitt in ref. [non Copenhagen, QM interpretation])
4. Other interpretations: Decoherent histories (Omnes). Consistent histories (Gell-Mann,
Griffiths). Transactional interpretation (J. Cramer). Ithaca interpretation.
3.3. INTERPRETATION 101
3.3.3 ‘Paradoxes’
Schr¨ odinger’s 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 find 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’,
Einsten’s 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 modification’, Heisenberg and
Born paper at the Solvay Congress of 1927).
4. Part of Einstein’s 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 specific 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 simplified 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 x-component 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 definite 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 definite 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 difference 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 difference 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 locality-namely, that measurement on one proton (i.e., the choice
of the measurement direction) cannot affect 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 Bell’s 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
definite 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 Bell’s 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 first 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 Bell-type 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 high-frequency 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 affects 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 effect on the state of proton 2 following a measurement on
proton 1 is believed to be instantaneous; the effect 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 first 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 mid-1930s two influential 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 solid-state
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 field. Starting with the most fundamental of quantum properties single-particle quantum
interference in two-path experiments they show how theorists and experimentalists are tackling
problems that go to the very foundations of quantum theory and, at the same time, offer the
promise of far-reaching applications. Anton Zeilinger of the University of Innsbruck introduces
the fundamentals of quantum information quantum bits, entangled states, Bell-state 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 first 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 first 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 significant 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 isn’t 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 ever-growing 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 five 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 effects 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
Bohr’s 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 (1749-1827): ‘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 firmly 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 efforts 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 affinity than I knew and tried to teach to my students of natural philosophy 50
years ago in my first 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 efforts 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 affinity than I knew and tried to teach to my students of natural philosophy
50 years ago in my first 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 first 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 first 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 modification’.
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 Einstein’s 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. Schr¨odinger 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 Gell-Mann: ‘Niels Bohr brainwashed a whole generation of physicists into believ-
ing that the problem [of the interpretation of quantum mechanics] had been solved fifty
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 δ(x − y) =

n
ψ
n
(x)ψ
m
(y)

A: [ψ >=

n
a
n
[n >=

n
[n >< n[ψ > so

n
[n >< n[ = 1. ψ(x) =

n
a
n
ψ
n
(x) =

n
__
dyψ

n
(y)ψ(y)
¸
ψ
n
(x) =
_
dy [

n
ψ

n
(y)ψ
n
(x)] ψ(y) so

n
ψ
n
(x)ψ
m
(y)

= δ(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 ψ =

n
a
n
ψ
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: Liboff 767.
2
a

n=1
sin
_
nπx
a
_
sin
_
nπy
a
_
= δ(x −y)
1

n=−∞
e
in(x−y)
= δ(x −y)
_
d
3
k
(2π)
2
e
ik·(x−y)
= δ
(3)
(x −y)

n=1
1
2
n
n!

π
exp
_

1
2
(x
2
+ y
2
)
_
H
n
(x)H
n
(y) = δ(x −y)

l=0
2l + 1
2
P
l
(x)P
l
(y) = δ(x −y)

l=0
m=l

m=−l
[Y
lm
(θ, φ)]

Y
l

m

, φ

) = δ(Ω−Ω

) =
δ(θ −θ

)δ(φ −φ

)
sin θ
_

0
j
l
(kr)j
l
(kr

)k
2
dk =
π
2r
2
δ(r −r

) (3.37)
5. Show that: i) c

= c

, for a complex number, ii) (f[ψ >)

=< ψ[f

, iii) (fg)

= g

f

, iv)
(f

)

= f, v) (cf)

= c

f

, vi) (f + g)

= f

+ g

.
A:
(a) < ψ[c

[φ >=< φ[c[ψ >

=< ψ[c

[φ > and c

= c,
(b) < φ[f[ψ >=< φ[ (f[ψ >) =
_
(f[ψ >)

[φ >
_

=< ψ[f

[φ >

so (f[ψ >)

=< ψ[f

and
3.5. FORMALISM, EXERCISES 111
(c) < φ[(fg)

[ψ >=< φ[fg[ψ >

= ([< φ[f] [g[ψ >])

= [g[ψ >]

[< φ[f]

=< ψ[g

f

[φ >
so (fg)

= g

f

6. Show that < x[p >= (2π)
3/2
e
ipx
.
Given that ˆ p[p >= p[p > one has < x[ ˆ p[p >= p < x[p > and by completeness

y
<
x[ ˆ p[y >< y[p >= p < x[p >. Using < x[ ˆ p[y >=< x[ − i
d
dy
[y >= −iδ(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) ([ψ >< ψ[)

= [ψ >< ψ[,
(b) Any f can decomposed into an hermitian and antihermitian part: f = H + I, with
H = (f +f

)/2 the hermitian part and I = (f −f

)/2 the antihermitian (I

= −I),
(c) if f and g are hermitian then (af + bf)

= a

f

+ b

g

is hermitian if and only if a
and b are real,
(d) If f is hermitian show that the f
2
eigenvalues and the expectation values are positive
for all ψ
A: ff

[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: < ψ[p

[φ >=< φ[p[ψ >

=
__
dx φ

(−i∇)ψ
¸

=
__
dx (i∇φ


¸

=
__
dx ψ

(−i∇)φ
¸

=<
ψ[p[φ >. 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: ψ →Uψ (with UU

)
(a) What should be the transformation property for the operator O so o ≡< ψ[O[ψ >
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

a[n >=< ψ[ψ >≥ 0, with [ψ >≡ a[n >
13. Show that 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 α and p = −iα(a −a

)/

2, so
x
nm
= < n[x[m >=
1

2 α
< n[a + a

[m >=
1

2 α
_

m < n[m−1 > +

m + 1 < n[m + 1 >
_
=
1

2 α
_

m δ
n,m−1
+

m + 1 δ
n,m+1
_
x
2
nm
= < n[x
2
[m >=
1

2
< n[a
2
+ (a

)
2
+ aa

+ a

a[m >=
=
1

2
_
_
m(m−1) δ
n,m−2
+ (2m + 1)δ
n,m
+
_
(m + 1)(m + 2) δ
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 α and p = −iα(a −a

)/

2, so
x
3
nn
= < n[x
3
[n >=
_
1

2 α
_
3
< n[(a + a

)
3
[n >= 0, p
3
nn
=
_


2
_
3
< n[(a

−a)
3
[n >= 0
x
4
nn
=
1

4
< n[a
2
_
a

_
2
+
_
a

_
2
a
2
+
_
a

a
_
2
+
_
aa

_
2
+ aa

a

a + a

aaa

[n >
=
1

4
_
(n + 1)(n + 2) + n(n −1) + n
2
+ (n + 1)
2
+ 2n(n + 1)
¸
=
3

4
_
n(n + 1) +
1
2
_
p
4
nn
=
α
4
4
< n[a
2
_
a

_
2
+
_
a

_
2
a
2
+
_
a

a
_
2
+
_
aa

_
2
+ aa

a

a + a

aaa

[n >
=
α
4
4
_
(n + 1)(n + 2) + n(n −1) + n
2
+ (n + 1)
2
+ 2n(n + 1)
¸
=

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)?
Bibliography
3.6 Quantum Mechanics Interpretation references
[QM formalism] Math. formalism of QM
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114 BIBLIOGRAPHY
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[Copenhagen] Copenhagen Interpretation
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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 infinitesimal rotation one has that (∆x
i
= (∆φ ∧ x)
i
=
ijk
∆φ
j
x
k
, see fig. 4.1)
ψ(r) →ψ(r + ∆ψ(r)) = ψ(r) +
∂ψ
∂x
i
∆x
i
= ψ(r) + i
ijk
r
i
p
j
ψ∆φ
k
= ψ(r) + i (L
i
ψ) ∆φ
i
(4.1)
where L
i
=
ijk
x
j
p
k
and p
k
= −i∂
k
([x
i
, p
j
] = iδ
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 θ cos φ, y = r sin θ sin φ, z = r cos θ
r =
_
x
2
+ y
2
+ z
2
, cos θ = z/r, tan φ = y/x (4.3)
The Jacobian of the transformations is
∂(r, θ, φ)
∂(x, y, z)

_
_
∂r/∂x ∂r/∂y ∂r/∂z
∂θ/∂x ∂θ/∂y ∂θ/∂z
∂φ/∂x ∂φ/∂y ∂φ/∂x
_
_
=
1
r
_
_
x y z
cos θ cos φ cos θ sin φ −sin θ

sin φ
sin θ
cos φ
sin θ
0
_
_
(4.4)
(so [∂(r, θ, φ)/∂(x, y, z)[ = 1/r
2
sin
2
θ) and the Angular momenta operators become
119
120 CHAPTER 4. ANGULAR MOMENTUM





























Figure 4.1: An infinitesimal rotation
L
z
= −i

∂φ
, L
±
= L
x
±iL
y
= e
±iφ
_
±

∂θ
+ i cot θ

∂φ
_
−L
2
=
1
sin
2
θ

2
∂φ
2
+
1
sin θ

∂θ
sin θ

∂θ
= −
1
2
(L

L
+
+ L
+
L

) −L
2
z
(4.5)
(L
2
= L
±
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
Φ(φ) = −i

∂z
Φ(φ) = mΦ(φ) (4.7)
that has the solution Φ(φ) = ae
imφ
, 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
Φ(φ + 2π) = Φ(φ) so m has to be an integer. Thus the normalized solution is
Φ
m
(φ) = e
imφ
/

2π, 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
ψ = −
_
1
sin
2
θ

2
∂φ
2
+
1
sin θ

∂θ
sin θ

∂θ
_
ψ = ν(ν + 1)ψ (4.9)
with ν a complex number. Using the method of ‘separation of variables’: ψ = Θ(θ)Φ(φ)
one obtains

∂ξ
(1 −ξ
2
)

∂ξ
Θ−
m
2
1 −ξ
2
Θ + ν(ν + 1)Θ = 0 (4.10)
with ξ = cos θ. The general solution is Θ = AP
m
ν
(ξ) + BQ
m
ν
(ξ). Boundary conditions are
the finiteness of the wavefunction everywhere, in particular at ξ = ±1. The only way to satisfy
it is by taking B = 0 and ν = l = 0, 1, 2, . The physical solution is then Θ = AP
m
l
(ξ).
Normalizing to the whole solid angle one has the ‘Spherical Harmonics’, as the final solution
L
z
Y
lm
= mY
lm
, L
2
Y
lm
= l(l + 1)Y
lm
, L
±
Y
lm
=
_
(l ∓m)(l ±m + 1)Y
l,m±1
Y
lm
=
_
2l + 1

(l −m)!
(l + m)!
_
1/2
(−1)
m
e
imφ
P
m
l
(cos(θ))
_
dΩY

lm
Y
l

m
= δ
ll
δ
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 (θ → π − θ) and φ → φ + π)
implies that
Y
lm
→Y
lm
(π −θ, φ + π) =
_
2l + 1

(l −m)!
(l + m)!
_
1/2
(−1)
m
e
im(φ+π)
P
m
l
(cos(π −θ)) = e
imπ
(−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


; Y
10
=
_
3

cos θ, Y
1±1
= ∓
_
3

e
±iφ
sin θ; Y
20
=
_
5
16π
_
3 cos
2
θ −1
_
Y
2±1
= ∓
_
15

e
±iφ
sin θ cos θ, Y
2±2
=
_
15
32π
e
±2iφ
sin
2
θ, (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 field). The wavefunction can have
components (again as the Electric field). So in general
ψ(r) →e
iφ·J
ψ(r) (4.14)
where

J are the angular momenta operators that by definition 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) defines 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 define 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

+ 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
[λ, m >= λ[λ, m >, J
z
[λ, m >= m[λ, m > (4.17)
where the eigenvalues are real because the operators are hermitian. The eigenstates are
normalized as < λ, m[λ

, m

>= δ
λλ
δ
mm
. In the case of Orbital angular momenta the solution
is [λ, m >→Y
l,m
and eqs. (4.11) is satisfied. 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
λ =< λ, m[J
2
[λ, m >=< λ, m[J
2
x
+ J
2
y
+ J
2
z
[λ, m >≥< λ, m[J
2
z
[λ, m >= m
2
(4.18)
so λ ≥ m
2
and [m[ is bounded from above. Now it can be shown that
4.2. ANGULAR MOMENTA, GENERAL CASE 123
J
±
[λ, m >= f
±
m
[λ, m±1 > (4.19)
where f
±
m
are unknown complex numbers. In order to do so first it is easy to see that
J
2
(J
±
[λ, m >) = λ(J
±
[λ, m >) (4.20)
so the vector J
±
[λ, m > has the same eigenvalue of J
2
as [λ, m > that means λ. Now
applying the first equation of (4.16) to [λ, m >
(J
±
J
z
−J
z
J
±
) [λ, m >= ∓J
±
[λ, m > so
J
z
(J
±
[λ, m >) = (m±1) (J
±
[λ, m >) (4.21)
That means the eigenvalue of J
z
when applied to the vector J
±
[λ, m > is m±1 respectively.
Then eq. (4.19) is shown to be true. Given that m
2
≤ λ we define m
0
(n
0
) as the maximum
(minimum) value of m such that J
+
[λ, m
0
>= 0 and J
n
0
+1

[λ, m
0
>= 0, for a given λ. Notice
that n
0
is a positive integer. It can be shown that
λ = m
0
(m
0
+ 1) = (m
0
−n
0
)(m
0
−n
0
−1) (4.22)
The first equality follows from
0 = J

J
+
[λ, m
0
>=
_
J
2
−J
2
z
−J
z
_
[λ, m
0
>= (λ −m
2
0
−m
0
)[λ, m
0
> (4.23)
and the second
0 = J
+
J
n
0
+1

[λ, m
0
>= J
+
J

_
J
n
0

[λ, m
0
>
_
=
_
J
2
−J
2
z
+ J
z
_ _
J
n
0

[λ, m
0
>
_
=
_
λ −(m
0
−n
0
)
2
+ (m
0
−n
0
)
¸ _
J
n
0

[λ, 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)
λ = m
0
(m
0
+ 1) ≡ J(J + 1) (4.26)
124 CHAPTER 4. ANGULAR MOMENTUM
defining 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

[λ, m
0
>= J
2m
0
+1

[λ, m
0
>= J

_
J
2m
0

[λ, m
0
>
_

J

[λ, −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 redefine the states as [λ, m >→ [Jm >, with J given by
(4.27).Finally to get the unknown coefficients f
±
m
:
< Jm[J

J
±
[jm >= [f
±
m
[
2
< J, m±1[J, m±1 >= [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(m±1)[j, m±1 > (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

m

>= δ
JJ
δ
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 satisfied 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
= σ
i
/2 and the Pauli matrices are
σ
x
=
_
0 1
1 0
_
, σ
y
=
_
0 −i
i 0
_
, σ
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: [σ
i
, σ
j
] = 2i
ijk
σ
k
, ¦σ
i
, σ
j
¦ = 2δ
ij
, (σ

A)(σ

B) =

A

B + iσ (

A

B), σσ = 2iσ, they are traceless . In this case the wavefunction has two
components
ψ =
_
ψ
1
ψ
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 (φσ)
2
= φ
2
)
ψ(r) → e
iφ·σ/2
ψ(r) = [cos(φ/2) + iˆ n σ sin(φ/2)] ψ(r) ≡
_
d
1/2
_
mm

ψ
m

d
1/2
(β) ≡ e
−iσ
2
β/2
=
_
cos(β/2) −sin(β/2)
sin(β/2) cos(β/2)
_
(4.34)
where φ is the magnitude of the rotation angle and ˆ 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 2π rotation
the wavefunction gain a minus sign ψ(r) → −ψ(r), later we will see that is possible to detect
this minus sign in neutron interferometry (see Sakurai 162-3 in ref. [3]. The eigenvalues of the
Spin operator, for a general rotation around the axis define by the unit vector ˆ n are
σ ˆ nχ
1,2
(ˆ n) =
_
n
z
n

n
+
−n
z
_
χ
1,2
(ˆ n) = ±χ
1,2
(ˆ n) (4.35)
with
χ
1
(

ˆ n) = N
1
_
1 + n
z
n
+
_
=
_
cos(θ/2)
sin(θ/2) e

_
, and χ
2
(

ˆ n) = N
2
_
−n

1 + n
z
_
=
_
−sin(θ/2) e
−iφ
cos(θ/2)
_
(4.36)
where n
±
= n
x
±in
y
, [N
1
[
2
= [N
2
[
2
= 1/2(1 + n
z
) = 1/4 cos
2
(θ/2) and the eigenvectors are
orthonormalized: χ

i
χ
j
= δ
ij
.
Electron spin was proposed by the first 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 fine structure lines (fine structure) and the anomalous
Zeeman effect, 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 first time by Phipps and Taylor in 1927 [4]. Examples
of particles with spin 1/2 are leptons (e

, positron, neutrinos, µ
±
, etc.) quarks, proton, neutron
(the constituents of terrestrial matter), nucleia, atoms, etc [PDG]. One important consequence
of electron spin is the presence of a magnetic momenta (the electron is a tiny magnet). In fer-
romagnets these electron magnetic momenta can be oriented along a given direction producing
the well know magnets (without inner currents, as was claimed by Ampere). It seems that
magnetic momenta of the earth is produced in the same way!. Another important consequence
of spin is in the atomic structure. Without it atoms do not obey the Pauli exclusion (becoming
bosons) principle and as a result they should be much smaller, with only on shell!.
Spin 1, Vectors
J = 1 or vector representation. In this case m = 0, ∓1 and the vector can be identify with
[1, 1 >=
_
_
1
0
0
_
_
, [1, 0 >=
_
_
0
1
0
_
_
, [1, −1 >=
_
_
0
0
1
_
_
, (4.37)
and the operators are represented by the matrices J
2
= 2
J
+
=

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 β −

2 sin β 1 −cos β

2 sin β 2 cos β −

2 sin β
1 −cos β

2 sin β 1 + cos β
_
_
(4.39)
Particles having spin one are the gauge bosons or mediators in the Standard Model: photon
(for EM), W
±
, Z (for Weak interactions), gluons (for Strong interactions), ρ(770), nucleia,
atoms, etc [PDG].
Spin 3/2
J = 3/2
4.3. SUM OF ANGULAR MOMENTUN 127
J
x
=
1
2
_
_
_
_
0

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), Σ(1385), Ξ(1530) and Ω(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 find 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 find 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 Clebsch-Gordan Coefficients
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 Clebsch-Gordan
coefficients. 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
ψ
J
1
J
2
Jm
=

m
1
m
2
C
Jm
J
1
m
1
;J
2
m
2
ψ
J
1
m
1
ψ
J
2
m
2
ψ
J
1
m
1
ψ
J
2
m
2
=

Jm
C
Jm
J
1
m
1
;J
2
m
2
ψ
J
1
J
2
Jm
(4.48)
The calculation of the Clebsch-Gordan coefficients can be done by using the properties of
the operators and the eigenvectors (see Schiff in ref. [1], and [1, 2].
Clebsch-Gordan Coefficients. 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
1/21/2,1/2−1/2
[1/2, 1/2 > [1/2, −1/2 > +C
10
1/2−1/2,1/21/2
[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
1−1
1/2−1/2,1/2−1/2
[1/2, −1/2 > [1/2, −1/2 >= [1/2, −1/2 > [1/2, −1/2 >
J = 0 : [10 >= C
00
1/21/2,1/2−1/2
[1/2, 1/2 > [1/2, −1/2 > +C
00
1/2−1/2,1/21/2
[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 Hyperfine Structure, let’s
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) [hyperfine, PDG].
(d) Its best experimental value is ν = 1420.405 751 766 7(10) Mhz [hyperfine, 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 first time by Ewen and Purcell in 1951
[hyperfine].
(f) Hydrogen line observations soon produced the first maps of our galaxy’s 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. Clebsch-Gordan coefficients 1
35. CLEBSCH-GORDANCOEFFICIENTS, SPHERICAL HARMONICS,
ANDd FUNCTIONS
Note: A square-root sign is to be understood over every coefficient, e.g., for −8/15 read −

8/15.
Y
0
1
=

3

cos θ
Y
1
1
= −

3

sin θ e

Y
0
2
=

5

3
2
cos
2
θ −
1
2

Y
1
2
= −

15

sin θ cos θ e

Y
2
2
=
1
4

15

sin
2
θ e
2iφ
Y
−m

= (−1)
m
Y
m∗

j
1
j
2
m
1
m
2
|j
1
j
2
JM
= (−1)
J−j
1
−j
2
j
2
j
1
m
2
m
1
|j
2
j
1
JM d

m,0
=


2 + 1
Y
m

e
−imφ
d
j
m

,m
= (−1)
m−m

d
j
m,m

= d
j
−m,−m

d
1
0,0
= cos θ d
1/2
1/2,1/2
= cos
θ
2
d
1/2
1/2,−1/2
= −sin
θ
2
d
1
1,1
=
1 + cos θ
2
d
1
1,0
= −
sin θ

2
d
1
1,−1
=
1 − cos θ
2
d
3/2
3/2,3/2
=
1 + cos θ
2
cos
θ
2
d
3/2
3/2,1/2
= −

3
1 + cos θ
2
sin
θ
2
d
3/2
3/2,−1/2
=

3
1 − cos θ
2
cos
θ
2
d
3/2
3/2,−3/2
= −
1 − cos θ
2
sin
θ
2
d
3/2
1/2,1/2
=
3 cos θ − 1
2
cos
θ
2
d
3/2
1/2,−1/2
= −
3 cos θ + 1
2
sin
θ
2
d
2
2,2
=

1 + cos θ
2

2
d
2
2,1
= −
1 + cos θ
2
sin θ
d
2
2,0
=

6
4
sin
2
θ
d
2
2,−1
= −
1 − cos θ
2
sin θ
d
2
2,−2
=

1 − cos θ
2

2
d
2
1,1
=
1 + cos θ
2
(2 cos θ − 1)
d
2
1,0
= −

3
2
sin θ cos θ
d
2
1,−1
=
1 − cos θ
2
(2 cos θ + 1) d
2
0,0
=

3
2
cos
2
θ −
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
+1−1/2 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
2×1/2
3/2×1/2
3/2×1
2×1
1×1/2
1/2×1/2
1×1
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
2×3/2
2×2
3/2×3/2
−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 Clebsch-Gordan Coefficients, North American Rockwell Science Center, Thousand Oaks, Calif., 1974). The coefficients
here have been calculated using computer programs written independently by Cohen and at LBNL.
Figure 4.2: Clebsh-Gordan coefficients. Taken from PDG at wwww.lbl.gov
132 CHAPTER 4. ANGULAR MOMENTUM
Clebsch-Gordan Coefficients. Example: 1 +1/2
In this case J = 1/2, 3/2. But let’s obtain the [J
1
, m
1
> [J
2
, m
2
> and change the notation:
φ
1
1
φ
1/2
1/2
= φ
3/2
3/2
φ
1
1
φ
1/2
−1/2
=
_
1/3 φ
3/2
1/2
+
_
2/3 φ
1/2
1/2
φ
1
0
φ
1/2
1/2
=
_
2/3 φ
3/2
1/2

_
1/3 φ
1/2
1/2
φ
1
0
φ
1/2
−1/2
=
_
2/3 φ
3/2
−1/2
+
_
1/3 φ
1/2
−1/2
φ
1
−1
φ
1/2
1/2
=
_
1/3 φ
3/2
−1/2

_
2/3 φ
1/2
−1/2
, φ
1
−1
φ
1/2
−1/2
= φ
3/2
−3/2
(4.50)
4.3.2 Wigner-Eckart Theorem
In general an operator transforms under an infinitesimal rotation (with U(δθ) = exp[iJ δθ]) as
A →U

(δθ)AU(δθ) →A + iδθ[A, n J] (4.51)
for a vector A →A + iδθ ∧ A
Scalar operator [J
i
, S] = 0, Vector operator [J
i
, V
j
] = i
ijk
V
k
. Tensor of second rank, for
example T
ij
= A
i
B
j
, with A and B vector operators. it can be decomposed as
T
ij
= T
(0)
ij
+ T
(1)
ij
+ T
(2)
ij
T
(0)
ij
=
1
3
T
ll
δ
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

j

m

[T
k
q
[njm >=< jm[ < kq[j

m

; jk >< n

j

[T
k
[nj > (4.53)
Examples are: for an scalar field
< jm[S[j

m

>=< j[S[j > δ
jj
δ
mm
(4.54)
For a vector
< jm[A
q
[j

m

>=
1
j(j + 1)
< jm[J A[j

m

>< jm[J
q
[j

m

> (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
, ψ = Y
lm
(4.57)
(b) In this case each state has a degeneracy of 2l + 1 states.
3. For a semi-symmetric 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
¸
, ψ = Y
lm
(4.59)
4. The general case (I
1
,= I
2
,= I
3
) is more difficult (see Davidov in ref. [1]).
(a) It doesn’t have any analytic solution and it has to be treated perturbatively
Effect ∆E [eV] ν [hz] ¯ ν [cm
−1
] λ T [
o
K] range
Electr. 1 10
14
1 µm 12000 Optic/ultraviolet
Vibrat. 0.03 10
13
10
3
−10
4
40 µm 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 roto-vibrational 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 Born-Oppenheimer in 1928. See Bransden AM chap. 9, French and Taylor 487-500,
Eisberg 461-471, Townsend 254, Park 202):
2. The electronic contributions where E
e
· 1/m
e
a
2
∼ 1 eV, with a = 1/m
e
α. In this case
the optic spectra is present in the visible or ultraviolet.
3. The vibrational part E
vibr.
= (n + 1/2)ω. Given that the molecule is maintained in
equilibrium by coulombic forces one has that V (a) ∼ (1/2)µω
2
a
2
∼ α/a so ω ∼
_
α/µa
3
and ν
vibr.

e
·
_
m
e
/m
N
∼ 1/40 so the absorption is in the infrared (8000-50.000
˚
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
= ν
rot.

e
· (1/Ma
2
)/(1/m
e
a
2
) · m
e
/M ∼
10
−4
. The absorption is in the far infrared and microwaves (λ ∼ 1 mm-1 cm).
5. Thus the complete spectra can be written symbolically as
E = E
e
+
_
n +
1
2
_
ω
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] ν
0
[eV] a [
˚
A] 1/2I [eV] molec. E
d
[eV] ν
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 ν
0
and the dissociation
energy is E
d
= E
e
−ω
0
/2.
(b) By observing light coming from the ζ ophiuchi star, crosing the an interestelar cloud.
(c) He observed the absorption spectra of the molecule CN around the line λ = 3974
˚
A.
(d) In particular he measured the transitions due to the rotation of the molecule to
obtain λ
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 effect change in the wavelength of light that occurs when a light beam is deflected
by molecules. The phenomenon is named for Sir Chandrasekhara Venkata Raman, who
discovered it in 1928.
4. When a beam of light traverses a dust-free, 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 different from that of the incident light; its presence is a result of the Raman
effect.
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 final states of the scattering molecule.
9. The Raman effect is feeble; for a liquid compound the intensity of the affected 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 different rotational and vibrational states of the scat-
tering molecule.
13. Pure rotational shifts are small and difficult 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 effects; thus liquids and solids are more frequently studied.
4.4.2 Stern-Gerlach Experiment
1. Stern-Gerlach experiment (Stern-Gerlach 1922, Phipps and Taylor 1927 [4])).
2. For the case of Ag in the Stern-Gerlach the spin and the orbital momenta of the first 46
electrons vanish as the orbital momenta of the 47-th one.
3. Thus the atomic angular momenta is the spin of the 47-th 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 Stern-Gerlach 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: Stern-Gerlach experiment
F = ∇(µ B)
F
z
= µ (∇
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 field (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 field, the atomic magnet, or magnetic dipole, only precesses as the
atom moves in the external magnetic field.
8. In a nonuniform magnetic field, the forces on the two poles are not equal, and the silver
atom itself is deflected by a slight resultant force, the magnitude and direction of which
vary in relation to the orientation of the dipole in the nonuniform field (see Figure 2).
9. A beam of neutral silver atoms directed through the apparatus in the absence of the
nonuniform magnetic field produces a thin line, in the shape of the slit, on the plate.
138 CHAPTER 4. ANGULAR MOMENTUM
10. When the nonuniform magnetic field 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 different deflections 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
field. Land´e’s Factor.
4.4.3 Pauli Equation
The Schrodinger Equation obviously do not include spin. Around 1930 P. Dirac was able to find
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 fields (EM) are classical. The full theory, QED
[?] takes into account the quantum character of the fields and it is theoretically consistent
with QM, Special Relativity, EM, spin, etc. In the case of a non-relativistic electron a simpler
equation can be used, is the Pauli’s Equation [?]. In order to obtain it let’s 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 affected by an external magnetic field, 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
−µ
L
B(4.63)
with L = r p the orbital angular momenta. The last term correspond to the energy
of a magnetic momenta µ
L
= −(e/2m)L ≡ −µ
B
L in presence of a constant magnetic field,
H = −µ 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 (µ
e
= −g
e
µ
B
S
e
· −2µ
B
S
e
=
−eσ/2m) of the electron is affected by the same magnetic field and its contribution is of the
same order, so it has to be included:
H = H
0
+
e
2m
B L −µ
e
B = H
0
+ µ
B
L B+ g
e
µ
B
S B · H
0
+ µ
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 µ
e
= −g
e
µ
B
S
e
· −2µ
B
S
e
=
−eσ/2m (Bransden AM 209), with µ
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 = α/2π − 0.328(α/π)
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 µ
N
= g
N
µ
N
S
N
, with the nuclear magneton µ
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 30-s!), neutron, etc.
elementm, (Z, A) J
P
µ/µ
N
Q τ
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

3.256426817 −0.00083 stable
Be, (4, 9) 3/2

−1.17789 0.053 stable
B, (5, 8) 2
+
1.0355 0.77s
B, (5, 10) 3
+
1.8006448 0.08472 stable
C, (6, 12) 0 0
O, (8, 16) 0 0
(4.65)
Table 5: E. Cohen and B. Taylor, Rev. Mod. Phys. 59, 1121 (1987); P. Raghavan, et al.
Nucl. Data Tables 42, 189 (1989) [PDG]. See table 5.1 in Bransden AM 235.
4.4.4 Magnetic dipoles in magnetic fields
Let’s see the contribution to the energy eigenvalues due to a magnetic dipole moment in presence
of a magnetic field. The Hamiltonian in this case is
140 CHAPTER 4. ANGULAR MOMENTUM
H = −µ B (4.66)
As we saw the magnetic dipole momenta can be written in general as µ = gµ
B,N
J, with g
the gyromagnetic ratio we mention before for the electron, proton and neutron. If the particle
is an electron or an atom we take for µ
B,N
the Magneton of Bohr, while it is a nuclei we have to
take the Nuclear magneton we mention before. The Schr¨ odinger equation can be solved easily
if we chose the z-axis along the magnetic field: H = −gµ
B,N
BJ
z
and the energy levels are
E
J,m
J
= −gµ
B,N
Bm
J
(4.67)
and the eigenfunctions are the vectors [Jm
J
>. The general solution is
ψ(t) =

m
J
a
m
J
e
−iEm
J
t
[Jm
J
> (4.68)
with a
m
J
arbitrary coefficients, that may be determinated by the initial configuration. Let’s
see the expectation values
E =< ψ[H[ψ >=

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
∓iωt
_
J(J + 1) −m
J
(m
J
±1) ≡ ae
∓iωt
(4.69)
where ω = gµ
B,N
B, and we have used J
±
[Jm
J
>=
_
J(J + 1) −m(m±1). Now one can
write < J
±
>= [a[ exp(∓iωt −iφ) because [a[ exp(−iφ) =


m
J
a
m
J
_
J(J + 1) −m
J
(m
J
±1),
so
< J
x
>= [a[ cos(ωt −φ) = [J[ sin(θ) cos(ωt −φ)
< J
y
>= −[a[ sin(ωt −φ) = [J[ sin(θ) sin(ωt −φ)
< J
z
>=

m
J
[a
m
J
[
2
m
J
= [J[ cos(θ) (4.70)
given that [J[ cos(θ) ≡

m
J
[a
m
J
[
2
m
J
and [J[ sin(θ) ≡ [a[ That corresponds to the preces-
sion of the magnetic momenta around B, with ω angular frequency (g = 1 means ω = ω
Larmor
=
eB/2m and we have the classical case). See Fig. 5. This is the basic principle of NMR: if you
measure ω, 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 ω
C
= eB/m. Cyclotron frequency is the angular rotation frequency for a particle
in presence of a Constant Magnetic Field ω
L
= eB/m (Lorrain-Corson p. 287). The Larmor
frequency is the precession frequency of a magnetic dipole in presence of a Constant Magnetic
Momenta τ = µ ∧ B so
˙
L = µ ∧ B = gµ
B,N
L ∧ B = L ∧ ω, where ω = ω
L
= eB/2m (Landau
II, p. 140 and Feynman 34-7) (see Merzbacher pag. 281 and Schiff 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 fields: 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 = −µ B = −gµ
B/N
B J =
1
2

B/N
B σ = −
1
2
_
ω
0
ω
1
cos(ωt)
ω
1
cos(ωt) −ω
0
_
(4.71)
with ω
0
= gµ
B
B
0
and ω
1
= gµ
B
B
1
. The Pauli/Scr¨odinger equation becomes
i
_
˙ ϕ
1
˙ ϕ
2
_
= −
1
2
_
ω
0
ω
1
cos(ωt)
ω
1
cos(ωt) −ω
0
__
ϕ
1
ϕ
2
_
(4.72)
and taking ϕ
1
= a exp[iω
0
t/2] and ϕ
2
= b exp[−iω
0
t/2] one gets
2i ˙ a = −ω
1
cos(ωt)e
−iω
0
t
b, 2i
˙
b = −ω
1
cos(ωt)e

0
t
a (4.73)
If = ω
0
−ω << ω
0
one has that (a more complete solution, from the mathematical point
of view can be founded in ref. [6])
cos(ωt)e
±iω
0
t
=
1
2
_
e
i(ω±ω
0
)t
+ e
−i(ω∓ω
0
)t
_
·
1
2
e
∓it
(4.74)
and
4i ˙ a = −ω
1
e
it
b, 4i
˙
b = −ω
1
e
−it
a (4.75)
if b is eliminated one obtains
¨ a + i ˙ a +
_
ω
1
4
_
2
a = 0 (4.76)
that can be solved by using the trial function a = a
0
exp(iλt) and
142 CHAPTER 4. ANGULAR MOMENTUM
λ = λ
±
=
1
2
_
− ±
_

2
+ ω
2
1
/4
_
(4.77)
taking a(0) = 1 and b(0) = 0 (so ˙ a(0) = 0), then
a =
1
λ
+
−λ

_
−λ

e

+
t
+ λ
+
e


t
¸
, b =


λ
+
ω
1

+
−λ

)
_
e

+
t
−e


t
¸
e
it
ϕ
1
=
λ
+
λ
+
−λ

_
1 −
λ

λ
+
e
i(λ
+
−λ

)t
_
e


−ω
0
/2)t
ϕ
2
=


λ
+
ω
1

+
−λ

)
_
e
i(λ
+
−λ

)t
−1
¸
e



0
/2+)t
(4.78)
so the probabilities are
P
1
=
¸
¸
¸
¸
λ
+
λ
+
−λ

¸
¸
¸
¸
2
_
1 +
_
λ

λ
+
_
2
−2
λ

λ
+
cos(λ
+
−λ

)t
_

1
2
[1 + cos(ω
1
t/2)]
P
2
= 2
¸
¸
¸
¸


λ
+
λ
+
−λ

¸
¸
¸
¸
2
[1 −cos(λ
+
−λ

)t] →
1
2
[1 −cos(ω
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 field.
2. This phenomenon was first 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 field (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 cone-shaped surfaces
while they precess in the Earth’s gravitational field.
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 fixed frequency or by
tuning the frequency of the weak radio wave to that of the nuclear magnets (determined
by the strong constant external magnetic field).
7. Nuclear magnetic resonance is used to measure nuclear magnetic moments, the charac-
teristic magnetic behavior of specific nuclei.
8. Because these values are significantly modified 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 field.
(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 first 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 first 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. Mansfield 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 body’s water and lipids
(fats).
12. NMR images show great sensitivity in differentiating 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 high-contrast, variable-toned 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 metal-containing devices implanted in their
bodies.
4.4.7 Electron-Spin Resonance
1. Electron paramagnetic resonance (epr), also called ELECTRON-SPIN RESONANCE
(esr), selective absorption of weak radio-frequency 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 field.
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
field, the magnetic axes of the unpaired electrons, or elementary magnets, partially align
themselves with the strong external field, and they precess in the field much as the axes
of spinning tops often trace cone-shaped surfaces as they precess in the gravitational field
of the Earth.
4. Resonance is the absorption of energy from the weak alternating magnetic field 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 field strength is varied and the
other is kept fixed, 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 field, 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, electron-spin resonance (ESR) is observed only
in a restricted class of substances.
7. These substances include transition elements–that is, elements with unfilled inner elec-
tronic shells–free radicals (molecular fragments), metals, and various paramagnetic defects
and impurity centers.
8. Another difference 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 influence of conduction electrons, chemical shifts, spin-spin
couplings, and so on, the ESR frequencies in bulk matter may differ greatly from those
of free spins or free atoms because the unfilled 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 effect of the crystal lattice on the magnetic center under study. The
effect of the crystal field, 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 fields 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 field, and
(2) the electrostatic energy between the electronic shells and the ligand field, which is
independent of the applied magnetic field.
11. The energy levels give rise to a spectrum with many different resonance frequencies,
the fine structure. Another important feature of electron-spin resonance results from
the interaction of the electronic magnetization with the nuclear moment, causing each
component of the fine-structure resonance spectrum to be split further into many so-
called hyperfine 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 hyperfine levels, the hyperfine coupling
of the electrons with a single nucleus must be replaced by the sum of the coupling with
all the nuclei.
13. Each hyperfine line is then split further by the additional couplings into what is known as
superhyperfine structure. The key problem in electron-spin resonance is, on one hand, to
construct a mathematical description of the total energy of the interaction in the ligand
field plus the applied magnetic field 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 rare-earth) 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 field and the spin-orbit coupling.
17. In the lanthanides, for instance, the ligand field 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 field are, as a rule,
stronger than the spin-orbit 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 superhyperfine 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, hyperfine and superhyperfine 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 hyperfine and superhyperfine structure give detailed information on the status
of these impurities. Free radicals are ideally suited for study by electron-spin 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 short-lived species.
23. The ESR of free radicals in solutions gives an extreme wealth of hyperfine 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 Russell-Saunders. 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 ) >=< τ > (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 < τ
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
+ (∂θ/∂x)p
θ
+ (∂φ/∂x)p
φ
5. Show explicitly that [L
i
, f(r)] = [L
i
, f(p)] = [L
2
, f(r)] = [L
2
, f(p)] = 0 for an arbitrary
function f.
6. Show explicitly that [L
±
, 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
ψ = −
_
1
sin
2
θ

2
∂φ
2
+
1
sin θ

∂θ
sin θ

∂θ
_
ψ = λψ (4.82)
Using the method of ‘separation of variables’: ψ = Θ(θ)Φ(φ) = Θ(θ) exp[imφ]. In order
to obtain the same wavefunction after a rotation like φ → φ + 2π one obtains that
m = 0, ±1, ±2, . The other equation is, then

∂ξ
(1 −ξ
2
)

∂ξ
Θ−
m
2
1 −ξ
2
Θ + λΘ = 0 (4.83)
4.5. ANGULAR MOMENTA EXERCISES 149
with ξ = cos θ. In order to have finite solutions at ξ = ±1 lets try the solution Θ =
(1 −ξ
2
)
m/2
h(ξ), with t = (1 −ξ)/2, 1 −t = (1 + ξ)/2 and
Θ

= (1 −ξ
2
)
m/2
h

−mξ(1 −ξ
2
)
m/2−1
h
Θ

= (1 −ξ
2
)
m/2
h

−2mξ(1 −ξ
2
)
m/2−1
h

−m(1 −ξ
2
)
m/2−2
_
1 −(m−1)ξ
2
¸
h
(1 −ξ
2
)h

−2(m + 1)ξh

+ [λ −m(m + 1)] h = 0
t(1 −t)
¨
h + (m + 1)(1 −2t)
˙
h + [λ −m(m + 1)] h = 0 (4.84)
and h = A
2
F
1
(a, b, c, t) (x(1 − x)
2
F
1
+ [c −(a + b + 1)x]
2
F

1
− ab
2
F
1
= 0), a + b + 1 =
2(m + 1), ab = m(m + 1) − λ, c = m + 1. The solutions are a = [2m + 1 ±

4λ + 1]/2,
b = [2m + 1 ∓

4λ + 1]/2. In order to have a convergent series at ξ = ±1 one has
that a = −n = 0, −1, −2, (a second solution is totally equivalent, given that F is
symmetric under the interchange of a and b) and
λ = (m + n)(m + n + 1) = l(l + 1), a ≡ m−l, l ≥ m + n, b = −n = m−l, n + 2m + 1 = l + m + 1 (4.85)
The solution is the Associated Legendre polynomials:
Θ =
¯
A(1 −ξ
2
)
m/2
2
F
1
[m−l, l + m + 1, m + 1, (1 −ξ)/2] = AP
m
l
(ξ) (4.86)
given the boundary conditions (Θ has to be finite at ξ →±1) one has that λ = l(l + 1).
8. Show the parity transformation for the Spherical Harmonics: Y
lm
(π−θ, φ+π) = (−1)
l
Y
lm
(θ, φ)
and that Y
l,−m
= (−1)
m
Y

lm
.
9. Show explicitly that L
±
Y
lm
=
_
(l ∓m)(l ±m + 1) Y
l,m±1
, L
z
Y
lm
= mY
lm
and L
2
Y
lm
=
l(l + 1)Y
lm
.
A: L
±
Y
lm
= e
±iφ
_
±

∂θ
+ i cot θ

∂φ
_
Y
lm
=
_
2l+1

(l−m)!
(l+m)!
_
1/2
(−1)
m
e
±iφ
_
±

∂θ
+ i cot θ

∂φ
_
e
imφ
P
m
l
(cos θ)
≡ N
lm
e
±iφ
_
±

∂θ
P
m
l
+ i cot θP
m
l
im
¸
e
imφ
= N
lm
e
i(m±1)φ
_
∓sin θP

m
l
−m
cos θ
sin θ
P
m
l
¸
= N
lm
e
i(m±1)φ
_


1 −x
2
P

m
l

mx

1−x
2
P
m
l
_
= N
lm
e
i(m±1)φ
(1/2)
_
∓P
m+1
l
±(l + m)(l −m + 1)P
m−1
l
−P
m+1
l
+ (l + m)(l −m + 1)P
m−1
l
¸
=
_
(l ∓m)(l ±m + 1) Y
l,m±1
10. For the case of angular momenta l = 1 (l = 2)find 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,m±1
(L
±
)
lm,l

m

=
_
(l ∓m

)(l ±m

+ 1) δ
ll
δ
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 ∆φ and ∆L
z
, for an state of angular momenta l and z-component m. Comment what
happens with the Heisenberg’s indetermination principle [1]. See PhysicsWeb, Angular
uncertainty passes test, oct.-04; S. Franke-Arnold, 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

= 2µ(E+V
eff.
(r))u
(for the radial part), where the Effective potential is V
eff.
(r) = V (r) + l(l + 1)/2µr
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)Iω
2
= (1/2)I(2πν)
2
→ l · 2πIν/ = 4πmr
2
ν/5 =
4π 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)Iω
2
= (1/2)I(2π/T)
2
→ l · 2πI/T = 4πmr
2
ν/5 =
4π 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 find 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 find 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 difference 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: Iω = (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) [σ
i
, σ
j
] = 2i
ijk
σ
k
, b) ¦σ
i
, σ
j
¦ = 2δ
ij
, c)
(σ A)(σ B) = A B+ iσ (AB), d) exp¦i

φσ/2¦ = cos(φ/2) + i

ˆ n σ sin(φ/2) and e)
obtain d
1/2
(Rose 52). The Pauli’s matrices are
σ
x
=
_
0 1
1 0
_
, σ
y
=
_
0 −i
i 0
_
, σ
z
=
_
1 0
0 −1
_
26. See neutron interferometry and the - sign in Sakurai p. 162-3
27. Obtain explicitly the eigenvalues and eigenvectors of the spin operator: s = (1/2)σ ˆ n,
given in the eq. (4.36)).
28. Obtain for J = 1 the rotation matrix exp[iθ 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 ˆ n, where ˆ 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 ¦iφ J¦, in the gen-
eral case. See Rose 52.
4.5.3 Sum of Angular Momenta
33. Show that: a) J =
1
2
σ and b) J = L +
1
2
σ 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 σ
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 first 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 = ω so ν = /8πm
p
r
2
∼ 2 10
11
hz. T = 4πν/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
ν
rot.
∼ (1/2π)
_
2ν/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
]
= −αk
B
T [log
_
dle
−αl
2
]

= −αk
B
T[log(1/2)
_
π/α]

= k
B
T
Pauli Equation
44. For the hydrogen atom, considering the electron spin find: 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
α
(produced by the transition from n = 3 to n = 2), how
many line are really present in the H
α
-line?.
A: For the case of the hydrogen atom the wave function, considering the spin is ψ
nlm
l
sms
=
R
nl
Y
lm
l
χ
sms
(work out the cases n=1,2). A more convenient basis is ψ
nJm
J
ls
= R
nl

m
l
ms
Y
lm
χ
sms
.
45. For the hydrogen atom, considering the electron and proton spin find: a) the complete
wavefunction for the states 1s and 2p, b) how many lines are really present in this tran-
sition?.
46. For the ‘spin-spin’ interaction, H

= As
1
s
2
show that the solution can be written as
ψ = ψ(x)χ
s
1
χ
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 ψ = ψ(x)χ
J
m
J
== ψ(x)

m
1
m
2
C
Jm
J
s
1
m
1
,s
2
m
2
χ
s
1
m
1
χ
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 α(x)
ψ →exp[iα(x)]ψ, qA →qA+∇α (4.90)
Magnetic Moments in magnetic fields
48. A paramagnetic media (Reif 261) has temperature T and it is immersed in an external
magnetic field B. If its molecules have magnetic momenta µ what is their average energy?.
4.5. ANGULAR MOMENTA EXERCISES 155
A:
< E > = [

m
(−gµ
B
mB)e
−gµ
B
mB/k
B
T
]/[

m
e
−gµ
B
mB/k
B
T
] = k
B


∂β
log
_
l

m=−l
e
−mβ
_
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)β/2]
sinh[β/2]
< E > = k
B


∂β
log
_
sinh[(2l + 1)β/2]
sinh[β/2]
_
=

B
B
2
_
(2l + 1) coth
_
2l + 1
2
β
_
−coth
_
β
2
__
< m > = −
1
2
_
(2l + 1) coth
_
2l + 1
2
β
_
−coth
_
β
2
__
< E > →
1
3
l(l + 1)
(gµ
B
B)
2
k
B
T
(4.91)
with β = gµ
B
B/k
B
T, x = exp[−β], and given that coth x · x+x/3 + . The last limit
is the Curie’s law, Reif 214 valid when T →∞.
49. What is the typical energy splitting produced in a atom by the earth magnetic field?
A: E = −gµ
B
Bm ∼ 1 (5.8 10
−5
eV/T) (5 10
−5
T) 1 ∼ 3 10
−9
eV, ν = E/2π ∼
3 10
−9
/2π 6.6 10
−16
∼ 0.7 MHz · 700 Khz.
source B [T] ∆E [eV] ν [Mhz]
Interestelar 10
−10
Earth surface 5 10
−5
3 10
−9
0.7
magnet 10
−2
−10
−1
Sun 10
−2
Large Magnet 2-30 10
−3
2 10
5
Pulsed magnet 500-1000
Pulsar Magnetar 10
8−12
Nuclear surface 10
12
Table 8: Pulsar magnetar, Record Gamma-Ray 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
= −iω
1
a
1
+ iκe
−i(ωt+φ
a
2
˙ a
2
= −iω
2
a
2
−iκe
i(ωt+φ
a
1
a
1
(t) = e
−iω
1
t
_
a
10
cosh(κt) + ie
−iφ
a
20
sinh κt
¸
a
2
(t) = e

2
t
_
a
20
cosh(κt) −ie

a
10
sinh κt
¸
(4.92)
156 CHAPTER 4. ANGULAR MOMENTUM
51. Commute the time needed by a magnetic dipole to radiate its energy.
A: P = (2/3)αω
4
µ
2
, ∆E = µB so T = 1/αµ
2
(µB)
3
= m
2
e
/α(µB)
3
= 137 (10
6
)
2

10
−16
/(10
−4·0.1
)
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 field (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 difference with the Stern-Gerlag
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.
M. Rose, Elementary theory of Angular Momentum, Dover 1995.
A. Edmonds, Angular Momentum in Quantum Mechanics, Princeton U. P. 1960.
K. Rao and V. Rasjeswari, Quantum Theory of Angular Momentum: Selected Topics,
Springer-Verlag 1993.
PhysicsWeb, Angular uncertainty passes test, oct.-04
S. Franke-Arnold, et al., New J. of Phys. 6, 103 (2004)
S. Barnett and D. Pegg, Phys. Rev. A 41, 3427 (1990).
[2] Lie Groups theory texts
B. Wybourne, Classical Groups for Physicists, Wiley 1974.
R. Slansky, Group theory for Unified Model Building, Phys. Rep. 79, 1 (1981).
R. Cahn, Semi-simple Lie Algebras and their representations, Benjamin/Cummings 1984.
H. Georgi, Lie Algebras in Particle Physics (Lie Algebras in Particle Physics), Perseus
1999.
P. Carruthers, Spin and Isospin in Particle Physics, Gordon and Breach 1971.
R. Gilmore, Lie groups, Lie algebras and some of their applications, Wiley 1974.
N. Jacobson, Lie Algebras, Wiley 1962.
J. Humphreys, Introduction to Lie Algebras and Representation Theory, Springer 1972.
H. Samelson, Notes on Lie Algebras, Van Nostrand-Reinhardt 1969.
W. Mckay, J. Patera and D. Sankoff, Computers in Non Associative Rings and Algebras,
ed. by R. Beck and B. Kolman, Academic Press 1977.
[3] Spin
G. Uhlenbeck and S. Goudsmit, Naturw., 13, 953 (1925); Nature 117, 264 (1926). Eisberg,
p. 300 in ref. [2]
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).
K. Rith and A. Sch¨afer, The mystery of Nucleon Spin, Scie. Amer. Jul.-99, pag. 42 (1999).
K. von Meyenn and E. Schucking, Wolfang Pauli, Phys. Tod. Feb.-01, 43 (2001).
157
158 BIBLIOGRAPHY
[4] Stern-Gerlach experiment.
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).
T. Phipps and J. Taylor, Phys. Rev. 29, 309 (1927). H (l=0), two lines.
B. Friedrich and D. Herschbach, Stern and Gerlach: How a Bad Cigar Helped Reorient
Atomic Physics, Phys. Tod. Dec.-03 53.
R. Frisch and O. Stern, Z. Phys. 85, 4 (1933). µ
p
First time
I. Esterman and O. Stern, Z. Phys. 85, 17 (1933). µ
p
First time
J. Kellogg, I. Rabi, and J. Zacharias, Phys. Rev. 50, 472(1936). µ
p
First time. NRM
method.
L. Young Phys. Rev. 52, 138 (1937). Review at that time.
[5] Raman spectroscopy
J. Ferraro, C. Brown, Kazuo Nakamoto, Kaszuo Nakamoto, Introductory Raman Spec-
troscopy, Academic Press 2002.
W. Kroto, Molecular Rotations Spectra, Dover 2003. Chemistry Nobel 1996. Fulleres.
[6] NMR.
N. Ramsey, Early magnetic resonance experiments: roots and offshoots, Phys. Tod. Oct.-
93, pag. 40.
G. Pake, NMR in bulk matter, Phys. Tod. oct.-93, 40; Sci. Amer., Magnetic Resonance,
Aug.-58, pag. 58.
J. Kellogg, I. Rabi, N. Ramsey and J. Zacharias, Phys. Rev. 56, 728 (1939).
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 sniffs 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 Mansfield 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. Para-equ.
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, finite size of the sun, etc) happen to be small perturbations that correct the first
approximation!, and even they can be ignored in many situations!.
2. In the experiment of Rutherford it is assumed that α particles are scattered by the nucleus,
by a Coulomb force. Of course this is only a first approximation. Additional effects are
the motion of the α particle and the nucleus (the Coulomb potential is valid for static
charges!), relativistic effects, quantum effects (in NR QM one obtains the same Rutherford
cross section!, but this is again a first approximation), magnetic fields, etc.
3. For hydrogenic atoms again one take the Coulomb potential and find 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 profited 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 (Rayleigh-Schr¨ 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
ψ
(0)
n
= E
(0)
n
ψ
(0)
n
(5.1)
and of course one wish to solve the complete problem: Hψ
n
= E
n
ψ
n
. If the perturbation is
not very large (H

<< H
0
, see Fig. 1) one has that
ψ
n
=

m
C
nm
ψ
(0)
m
(5.2)
Once this is replaced in the complete equation it is obtained that

m
C
nm
H

ψ
(0)
m
=

m
(E
n
−E
(0)
m
)C
nm
ψ
(0)
m
(5.3)
now one can multiply by ψ
(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 ψ

n
H

ψ
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 zero-th 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) = δ
nl
. At first
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 (RAYLEIGH-SCHR
¨
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

H

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 first 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
−δ
lm
E
(1)
n
_
C
(0)
nm
= 0 (5.15)
This equation determinates completely the wavefunction to zeroth order and the energy
spectra to first 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 −δ
nl
E
(0)
n
−E
(0)
l

m∈n
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
ψ
n
= E
n
ψ
n
. The time dependent perturbation
is described by H

(t). The system now has to satisfy the time dependent SE: ı∂ψ/∂t = Hψ.
For ‘small’ time dependent perturbations the full wavefunction can be expanded in terms of
the unperturbated eigenfunctions:
ψ(t) =

m
c
m
(t)e
−iEmt
ψ
m
(x)
i ˙ c
n
(t) =

m
e
iωnm
H

nm
c
m
(5.17)
where the last equation was obtained by replacing the first in the time dependent SE and
projecting into the n-state. The matrix element of H

is defined as H

nm
(t) =
_
ψ

n
H

(t)ψ
m
d
3
x
and ω
nm
= E
n
− E
m
. In the case the perturbation is ‘small’ one can solve for the coefficients
c in powers of H

: c
n
= c
(0)
n
+ c
(1)
n
+ c
(2)
n
+ . At order zero the coefficients are constant:
˙ c
(0)
n
= 0 and if initially the system was in the state n
0
one has that c
(0)
n
= δ
nn
0
. At this order
the perturbation obviously doesn’t have any effect. At first order one obtains
i ˙ c
(1)
n
(t) =

m
e
iωnm
H

nm
c
(0)
m
c
n
(t) = δ
nn
0
−i
_
t
0
dt e
−iωnn
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

Figure 5.1: Figures for the Perturbation theory
164 CHAPTER 5. THEORY OF PERTURBATIONS
5.3 Interaction Picture
The time evolution of the states is controlled by the Hamiltonian, in the Schr¨odinger represen-
tation:
i

∂t
[ψ(t) >
S
= H[ψ(t) >
S
, [ψ(t) >
S
= e
−iHt
[ψ(t = 0) >
S
, H =
_
d
3
xH (5.19)
In the Interactive picture the hamiltonian is splitted as H = H
0
+ H
I
, and the states are
redefined so their time evolution is controlled by H
I
, the interaction part:
[ψ(t) >
S
≡ e
−iH
0
t
[ψ(t) >
I
, i

∂t
[ψ(t) >
I
= H
I
[ψ(t) >
I
(5.20)
The solution to this SE can be written like [ψ(t) >
I
= U(t, t
0
)[ψ(t
0
) >
I
with
i

∂t
U(t, t
0
) = H
I
U(t, t
0
) (5.21)
and the initial condition U(t
0
, t
0
) = 1. This SE has an iterative solution of the form
U(t, t
0
) = 1 −i
_
t
t
0
dt

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 Fermat’s 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 ψ = exp[iS/]
in the SE:


2
2m

2
ψ + V ψ = Eψ, ∇
2
ψ = −
p
2
(x)

2
ψ (5.25)
where p
2
(x) ≡ 2m(E −V (x)). Given that ∇ψ = (i∇S/) exp[iS/] and ∇
2
ψ = [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 first order the equation is 2(∇S
0
) (∇S
1
) +∇
2
S
0
= 0 so in 1-D S

1
= −p

/2p and
S
1
= −
1
2
ln(p/p
0
) (5.29)
3) and finally 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: α-Decay
The α-decay of a nuclei is (A, Z) →(A−4, Z −2) +α, with α = (A = 4, Z = 2) is a α-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 =
_
2µ(V −E), one has at zero-th order
ψ = exp[iS
0
/] = ψ(0) exp
_

_
x
0
kdx
_
(5.31)
the ± signs are for decay and absorbtion, respectively. Now
ψ(b)
ψ(a)
= exp
_

_
b
a
kdx
_
, so
P(b)
P(a)
=
¸
¸
¸
¸
ψ(b)
ψ(a)
¸
¸
¸
¸
2
= exp [−I] (5.32)
with I = 2
_
b
a
kdx. Now V = (1/4π
0
)[(Z − 2) 2e
2
/r] = 2(Z − 2)α/r (see Fig. 3) and
E = V (b) = 2(Z − 2)α/b ≡ [2(Z − 2)α/a]c or c ≡ a/b = E/[2(Z − 2)(α/a)]. The integral is
then (see Fig. 4)
I =
_
2µE 2
_
b
a
_
b/r −1dr = 2
_
2µE (2b)
_
tan
−1

1/c−1

0
sin
2
(θ)dθ
= 2
_
2µEb
2
_
tan
−1
_
_
1/c −1
_

_
c(1 −c)
_
(5.33)
where tan
2
(θ) ≡ b/r −1 (r = b cos
2
(θ)). The Reduced mass µ = 4(A −4)m
p
/A and
I = 8(Z −2)α
_
2(A −4)m
p
/AE
_
tan
−1
_
_
1/c −1
_

_
c(1 −c)
_
(5.34)
with a = (A−4)
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
τ
1/2
= (2a/v) exp[I] (5.35)
Taking v · c/10 and α
−1
= 137.04 and m
p
= 938.2 MeV on get for the
230
Th
90
(E
α
= 4.82
MeV) that 2(Z − 2)α/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
α
= 4.12 MeV) that 2(Z −2)α/a = 29.7 MeV, c = 0.139
and I = 108.68 0.84 = 91.67 and T
1/2
= 3.45 10
18
seg = 1.1 10
11
years, to be compared withe
the experimental value T
Exp.
1/2
= 1.4 10
10
years.
5.4. SEMICLASSICAL APROXIMATION (WKB METHOD) 167
































































Figure 5.2: Geiger-Nuttal law
168 CHAPTER 5. THEORY OF PERTURBATIONS
One can obtain the relation
ln T
1/2
= α + β
Z −2

E
(5.36)
with α and β constants. This is the so called Geiger-Nuttal law (1911-2). See N. Ashby and
S. Miller, principles of Modern Physics, p. 447; Gasiorowicz in ref. [1, Nuclear Physics], pgs.
90-92 and fig. 5-13; Park 3-D problem and Schiff p. 271 (range of validness). See Weisskopt
578, table 3.2; Cottingham p. 82 table 6.1. Park 451.
5.4.1 Bohr-Sommerfeld 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
ψ
I
(x) =
C
1

q
exp
__
x
a
q dx
_
, ψ
III
(x) =
C
3

q
exp
_

_
x
b
q dx
_
ψ
II
(x) =
C
2

q
exp
_
i
_
x
a
k dx
_
+
C

2

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

(x = a) ≥ 0. Replacing in the SE, for x ∼ a
ψ

−2mF(a −x)ψ = 0, ψ

−ξψ = 0 (5.38)
where in order to obtain the second form of the SE ξ ≡ α
1/3
(a − x) with α = 2mF. The
solution is the the Airy function Φ(ξ) [4]. Thus the solution for x ∼ a is
ψ(x) = A

Φ(ξ) →A

_
[1/2ξ
1/4
] exp[−2ξ
3/2
/3] if ξ →∞
[1/[ξ[
1/4
] sin[2[ξ[
3/2
/3 + π/4] if ξ →−∞
→ A
_
[1/2

q] exp[−
_
x
a
q dx] if x →−∞
[1/

k] sin[
_
x
a
k dx + π/4] if x →∞
(5.39)
given that q
2
= 2mF(a −x) = α
2/3
ξ, k
2
= 2mF(x −a) = α
2/3
[ξ[ and
_
a
x
q dx =
2
3
ξ
3/2
,
_
x
a
k dx =
2
3
[ξ[
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

(x−b) + ,
with F

= V

(x = b) ≥ 0. Replacing in the SE, for x ∼ b
ψ

−2mF

(x −b)ψ = 0, ψ

−ηψ = 0 (5.41)
with η ≡ β
1/3
(x −b) and β = 2mF

. Again the solution for x ∼ b is
ψ(x) = B

Φ(η) →B

_
[1/2η
1/4
] exp[−2η
3/2
/3] if η →∞
[1/[η[
1/4
] sin[2[η[
3/2
/3 + π/4] if η →−∞
→ B
_
[1/2

q] exp[−
_
x
b
q dx] if x →∞
[1/

k] sin[
_
b
x
k dx + π/4] if x →−∞
(5.42)
given that q
2
= 2mF

(x −b) = β
2/3
η, k
2
= 2mF

(b −x) = β
2/3
[η[ and
_
x
b
q dx =
2
3
η
3/2
,
_
b
x
k dx =
2
3
[η[
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
ψ
II
(x) =
A

k
sin
__
x
a
k dx + π/4
_
=
B

k
sin
__
b
x
k dx + π/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 + π/4
_
= sin
_

_
x
a
k dx +
_
x
a
k dx +
_
b
x
k dx + π/4
_
= −sin
__
x
a
k dx −
_
b
a
k dx −π/4
_
Asin [φ(x)] = −Bsin
_
φ(x) −
_
b
a
k dx −π/2
_
φ(x) ≡
_
x
a
k dx + π/4 (5.45)
and given that sin φ = (−1)
n
sin (φ ±nπ) and A = ±B one can conclude the quantization
rules of Bohr-Sommerfeld:
_
b
a
p dx =
_
b
a
_
2m[E −V (x)] dx = (n + 1/2)π (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 first 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[ψ] =
< φ[H[φ >
< φ[φ >
≥ E
0
∀φ (5.47)
where E
0
is the energy of the ground state and φ 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: φ =

n
a
n
ψ
n
. In this way one finds that
E[φ] −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 φ based into previous experience. Normally the wavefunction is chosen with several
(few) arbitrary parameters, that are then chosen to minimize E[φ]. 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 Pauling-Wilson 189 in [1] and [2]) to obtain an upper bound too, thus
(E = E[φ] =< φ[H[φ > and D =< φ[H

H[φ >)
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 ψ
0
, ψ
1
, ψ
N
as accurate as possible) and try to compute the next level (E
N+1
and ψ
N+1
). Once again a trial function φ has to be choosen satisfiying the boundary conditions,
orthogonal to the lower energy wavefunctions (< φ[ψ
n
> for n = 0, 1, N), constinuos as usual
and with N nodes. As before φ can be decomposed in terms of the unknown eigenfunctions:
ψ =

n>N
a
n
ψ
n
and
E[φ] −E
N+1
=

n≥N+1
[a
n
[
2
(E
n
−E
N+1
)

n≥N+1
[a
n
[
2
≥ 0 (5.50)
and again E[φ] ≥ E
N+1
5.6 Numerical Methods
5.6.1 Time independent 1D
Solving the time-independent Schr. Eq. in 1 dimension (radial or linear) (ordinary diff. eq.)
Bound State solutions
5.6. NUMERICAL METHODS 171
ψ(x
i+1
) = ψ(x
i
) + ψ

(x
i
)∆x, ψ

(x
i+1
) = ψ

(x
i
) + ψ

(x
i
)∆x
ψ

(x
i
) = 2m[V (x
i
) −E]ψ(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 ψ(a) and a guess value for ψ

(a) and E. Evolves the solution until you
reach the point x = b. If you don’t obtain the boundary value of ψ(b) you have to change E
and repeat the procedure until you get the correct value for ψ(b) (see Fig. 6). Finally you have
to normalize the solution. Some help can be obtained ploting the value obtained for ψ(b) as a
function of the energy when you evolve the numerical solution. The ground state solution it is
the one with no zeroes, the first exited stated wave function has one zero, etc.
Semiclassical approximation (may be omitted) Applications: vibrations of bound H-Kr,
electron in a quantum well
5.6.2 Matrix diagonalization
In this case you have to guess a complete set of states as close as possible to the real solution,
compute the matrix H
ij
=< i[H[j > and diagonalize it (Landau-Paez 197, 231, momentum
space). Naturally its eigenvalues are the energy ones and the eigenvectors are the corresponding
wave functions. Possible basis are 1) discrete space, 2) the matrices x and p of (hermite poly-
nomials), see Formalism chapter, 3) appropriate orthogonal polynomials (Hermite, Legendre,
Laguerre, etc.), etc.
Solving Schroedinger Eq. in a basis: Matrix operations Comparison of Finite difference dis-
crete algorithms with matrix representations in a basis Variational properties Basis functions for
atomic calculations. (Gaussian, Slater) Calculations for molecules (and atoms) – Beyond this
course to construct general programs Calculations with Gaussian program ”Quantum Chem-
istry” package Iterative methods General iterative methods for eigenvectors, related to time
dependence
5.6.3 Time dependent
Solving the single-particle time-dependent Schr. Eq. (partial diff. eq.). Koonin 176. Unitary
discrete step methods that conserve energy 1-dimensional examples of evolution
”Computational Physics” by J. M. Thijssen, Cambridge Press, 1999. Available in paper-
back.
Zienkiewicz and Taylor, The Finite Element Method ,4th ed, McGraw-Hill,1989
J.-L. Liu, Computational Quantum Mechanics
A. Goswami, Quantum Mechanics, Wm. C. Brown Publisher, 1992
172 CHAPTER 5. THEORY OF PERTURBATIONS
5.6.4 Scattering theory
Scattering from a spherical potential (Thijssen, Ch. 2; see also Koonin 87, Landau-Paez 239)
Born approximation Application: scattering of H from Kr
Scattering theory, phase shifts, and ab initio pseudopotentials Calculation of cross sections,
transport Eliminating core electrons to define pseudopotentials Modifying atomic program for
pseudopotentials (may be omitted)
5.6.5 Several particles
Hartree-Fock theory (Kooning 65) General variational theory for many particles Symmetry of
the wavefunction; Exchange for Fermions Koopman’s theorem Restricted/unrestricted theory
applied to atoms
”Hartree-Fock” theory for Bose condensates Recent interest in Bose condensates Reduces to
self-consistent equation in the Hartree approximation Hartree-Fock solution for atoms Working
programs for atoms Examples of solutions for ground and excited states Comparison of energies
from Koopman’s theorem and self-consistent solutions (”Delta H-F”)
Density Functional Theory
Juan Carlos Cuevas, Introduction to Density Functional Theory, Institut f¨ ur Theoretische
Festk¨orperphysik Universit¨ at Karlsruhe (Germany) www-tfp.physik.uni-karlsruhe.de/˜cuevas
Functionals in quantum mechanics The Hohenberg-Kohn Theorem for many-body inter-
acting systems Kohn-Sham approach for solving for ground state of a many-body interacting
particle system as a self-consistent problem of many-non-interacting particles
Methods for self-consistency Application to the atomic problem Modifying Hartree-Fock
program for Hartree-density-functional calculations Matching logarithmic derivative x=d (log
psi)/dr for wavefunction Theorem relating dx/dE to integrated charge Algorithm for solving
radial Schr. Eq.
The problem: basis sizes which grow as N! Prototype many-body problems Hubbard and
Anderson model for electrons Heisenberg model for spins The Lanczos method (exact diagonal-
ization) for the lowest states Applications to finite temperature statistical quantum mechanics
(may be omitted)
5.6.6 Monte Carlos, Finite Temperature
The Lanczos method (exact diagonalization) for the lowest states Applications to finite temper-
ature statistical quantum mechanics (may be omitted) Monte Carlo methods (Koonin chp.8,
Landau-Paez 93) High dimensional integration by statistical sampling Variational Monte Carlo
with a trial correlated wavefunction Slater-Jastrow two-body correlations Gutzwiller wavefunc-
tions for the Hubbard model Random walks, the Metropolis algorithm. Estimation of corre-
lation and convergence Diffusion Monte Carlo methods Exact solution of hydrogen molecule
Comparison with Hartree-Fock, DFT (using Gaussian program) Discussion of the ”sign prob-
lem” for Fermions Bose Condensates
M.H. Kalos and P.A. Whitlock, ”Monte Carlo Methods, Vol I”, Wiley, 1986. Probability,
Sampling, Tricks, Metropolis, Green’s Function Monte Carlo.
5.6. NUMERICAL METHODS 173
J.M. Hammersley and D.C. Handscomb, ”Monte Carlo Methods”, Chapman and Hall, 1964.
Classic monogram on basic Monte Carlo methods.
B. L. Hammond, W. A. Lester, Jr. and P. J. Reynolds, ”Monte Carlo Methods in Ab Intio
Quantum Chemistry” World Scientific, 1994. (541.28015192) Detailed description of variational
and diffusion Monte Carlo applied to small molecules.
5.6.7 Path Integrals
Landau-Paez 309.
174 CHAPTER 5. THEORY OF PERTURBATIONS
5.7 Perturbation Theory, Exercises
5.7.1 Perturbations time independent (non-degenerate case)
1. For the Infinite well, given that H

= αδ(x − b) (with 0 < b < a, and a is the width of
the well) compute: a) E
(1)
, b) E
(2)
, c) the wave function, to first order (you can give the
result as a sum) and d) do the same for the 1d harmonic oscillator
A : a) E
(1)
n
= H

nn
=
α
a
_
a
0
d x sin
2
(nπx/a) δ(x −b) =
α
a
sin
2
(nπb/a)
b) E
(2)
n
=
_
α
a
_
2
m=n
sin
2
(nπb/a) sin
2
(mπb/a)
(n
2
−m
2

2
/2ma
2
=
2mα
2
π
2

m=n
sin
2
(nπb/a) sin
2
(mπb/a)
n
2
−m
2
2. Find the relativistic corrections to the a) infinite potential well and b) to the 1-D harmonic
Oscillator.
A: The Hamiltonian for the relativistic H =
_
m
2
+ p
2
−m+V (x) · p
2
/2m−p
4
/8m
3
+
+ V (x) = H
0
+ H

with H

= −p
4
/8m
3
. For the infinite potential well the correction
is E
(1)
n
= −p
4
nn
/8m
3
. p
4
nn
=< n[ (−id/d x)
4
[n >= (nπ/a)
4
and E
(1)
n
= −(nπ/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
= (3α
4
/2) [n(n + 1) + 1/2] one has that E
(1)
n
= −p
4
nn
/8m
3
= −(3ω
2
/16m) [n(n + 1) + 1/2]
3. A particle is inside an infinite potential well 1-D, 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
(nπx/a) =
1
2
eEa, H

nl
=
4eEanl
π
2
(n
2
−l
2
)
2
_
(−1)
n−l
−1
_
ψ
n
= ψ
(0)
n
+
16meEa
2
π
4

l=n
nl
(n
2
−l
2
)
3
_
(−1)
n−l
−1
_
ψ
(0)
l
E
(2)
n
=
_
4eEa
π
2
_
2

l=n
(nl)
2
(n
2
−l
2
)
5
_
(−1)
n−l
−1
_
2
(5.52)
4. For the harmonic oscillator potential, corrected by a linear term H

= eEx find
(a) The first two corrections to the energy levels. Compare with the exact solution.
(b) The wave function, to first order.
A: E
(1)
n
=< n[bx[n >= bx
nn
= 0. And given that x
n,n−1
= x
n−1,n
=
_
n/2mω.
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
ω
_
x
2
n,n−1
n −(n −1)

x
2
n,n+1
n −(n + 1)
_
= −
b
2
2mω
2
This problem can be solved analytically by rewriting the Hamiltonian: H = p
2
/2m +
(1/2)mω
2
x
2
+ bx = p
2
/2m + (1/2)mω
2
_
(x + b/mω
2
)
2
−b
2
/m
2
ω
4
_
. Than can be solved
(as a harmonic oscillator again!) by shifting the energy levels E
n
→ E
n
− b
2
/2mω
2
and
the same wavefunctions with x →x −b/mω
2
. In agreement with the former results.
5. Find the corrections to the energy levels produced by an anharmonic potential to the 1-D
harmonic oscillator (see W. Janke and H. Kleinert, Phys. Rev. Lett. 75, 2787 (1995)).
For H

= ax
3
+ bx
4
.
A: At first 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]/2α
4
E
(1)
n
= 3b[n(n + 1) + 1/2]/2α
4
. An analogous calculation can be
done for the lowest levels:
E
(1)
0
=
_

−∞
e
−ξ
2
[
¯

4
]dξ
_

−∞
e
−ξ
2

=
3b
4(mω)
2
, E
(1)
1
=
_

−∞
ξ
2
e
−ξ
2
[
¯

4
]dξ
_

−∞
ξ
2
e
−ξ
2

=
15b
4(mω)
2
,
E
(1)
2
=
_

−∞
(−1 + 2ξ
2
)
2
e
−ξ
2
[
¯

4
]dξ
_

−∞
(−1 + 2ξ
2
)
2
e
−ξ
2

=
15b
2(mω)
2
,
6. Get E
(1)
n
for a particle inside an infinite potential well 1-D, with side a perturbed by the
potential
H

(x) =
_
V
0
, , if 0 < x < b < a
0, otherwise
(5.53)
7. Two particles are confined inside an infinite potential well os side a. If they interact
via H

= Aδ(x
1
− x
2
), so they can not be at the same position simultaneously. How is
modified its energy?. A:
ψ
(0)
n
1
n
2
(x
1
, x
2
) =
2
a
sin(n
1
πx
1
/a) sin(n
2
πx
2
/a), E
(0)
n
1
n
2
=
π
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
πx
1
/a) sin
2
(n
2
πx
2
/a)δ(x
1
−x
2
)
=
A
a
2
_
a
0
dx
1
sin
2
(n
1
πx
1
/a) sin
2
(n
2
πx
1
/a) =
A
8a
[2 + δ
n
1
n
2
] (5.54)
and for example E
(1)
11
= 3A/8a.
176 CHAPTER 5. THEORY OF PERTURBATIONS

Figure 5.3: Figures for the exercises of Perturbation theory
5.7. PERTURBATION THEORY, EXERCISES 177
5.7.2 Time independent perturbation (degenerate case)
8. Solve the characteristic equation for the case of two degenerate levels. Solve the case of
a magnetic dipole in an arbitrary constant magnetic field.
A:
_
H
aa
H
ab
H
ba
H
bb
__
c
a
c
b
_
= E
(1)
_
c
a
c
b
_
,
¸
¸
¸
¸
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
field, the Hamiltonian is (µ = [µ[)
H

= −µ B = −µ
_
B
z
B
x
−iB
y
B
x
+ iB
y
−B
z
_
, ψ
+
=
1
_
2B(B + B
z
)
_
−B

B + B
z
_
→ψ

ψ

=
1
_
2B(B + B
z
)
_
B + B
z
B
+
_
→ψ

and E
±
= ±µB. In the case the z axis is chosen along the B field the solution reduces
appropriately.
9. Find the relativistic corrections to the a) 3-D infinite potential box and b) to the 3-D
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
α
4
i
_
n
i
(n
i
+ 1) +
1
2
_
+
1
4

i=j=x,y,z
α
2
i
α
2
j
(2n
i
+ 1)(2n
j
+ 1) (5.55)
10. Show that for a central potential, including the perturbation (H

(r) = H

([r[)) the matrix
H

is diagonal: H

nlm, n

l

m
=< n[H

(r)[n

> δ
ll
δ
mm
.
A:
H

nlm, n

l

m
(r) = < nlm[H

(r)[n

l

m

>=
_
dV R
nl
Y

lm
H

(r)R
n

l
Y
l

m

= [
_

0
r
2
drR
nl
H

(r)R
n

l
][
_

Y

lm
Y
l

m
] = H

nl, n

l
(r)δ
ll
δ
mm
(5.56)
178 CHAPTER 5. THEORY OF PERTURBATIONS
11. Find the relativistic corrections to the a) 3-D infinite potential spherical well, b) to the
3-D 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 find 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) =
_
−Zα[3(r/R)
2
−2] /2R if r¡R
−Zα/r if r > R
H

= −Zα
_
1
2R
_
3(r/R)
2
−2
¸
−1/r
_
θ(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

m

>= δ
ll
δ
mm

_
R
0
r
2
dr R
nl
H

(r)R
nl
· δ
ll
δ
mm
[R
nl
(0)[
2
_
drr
2
H

= −4πZα[ψ
ns
(0)[
2
δ
l0
δ
ll
δ
mm

_
R
0
dr
_
1
2R
_
3
_
r
R
_
2
−2
_

1
r
_
=
32
15
πZα[ψ
nlm
(0)[
2
R
2
δ
l0
δ
ll
δ
mm
=
32
15
πZαR
2
_
1
π
_
Z
na
µ
_
3
_
δ
l0
δ
ll
δ
mm

= −
64
15n
_
ZR
a
µ
_
2
E
(0)
n
δ
l0
δ
ll
δ
mm
, E
(1)
ns
· −4.3 10
−10
E
(0)
n
(5.58)
that can be compared with the main corrections due to the hyperfine structure:
E
hf
= α
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

m

>= −Gm
N
m
e
δ
ll
δ
mm
< 1/r >
nl
= −δ
ll
δ
mm

Gm
N
m
e
Z
n
2
a
µ
= −δ
ll
δ
mm


n
2
, E
(1)
n
= −(Zκ/n
2
) (5.60)
5.7. PERTURBATION THEORY, EXERCISES 179
with κ = Gm
N
m
e
/a
µ
· 10
−39
eV (a
µ
= 1/αµ) and given that (1/r)
n
= Z/a
µ
n
2
. An
analytical calculation is possible by noticing that V = −Zα/r − Gm
N
m
e
/r = −Z

α/r
with Z

= Z[1 + Gm
N
m
e
/Zα]. Thus the spectra is E
n
= −(µ/2)(Z

α/n)
2
= E
(0)
n
+
E
(1)
n
+ , so E
(1)
n
= −κ/n
2
in agreement with the results given previously. An explicit
calculation for the first levels is
E
(1)
1s
=
_

0
e
−2ρ
[−κ/ρ]ρ
2

_

0
e
−2ρ
ρ
2

= −κ, E
(1)
2s
=
_

0
e
−ρ
(1 −ρ/2)
2
[−κ/ρ]ρ
2

_

0
e
−2ρ
(1 −ρ/2)
2
ρ
2

= −
κ
4
,
E
(1)
2p
=
_

0
e
−ρ
[−κ/ρ]ρ
4

_

0
e
−ρ
ρ
4

= −
κ
4
,
This effect is very small given that Gm
p
m
e
/αc = 5 10
−40
. Even if this were not the
case the spectra is not modified and the correction is absorbed in the α measurement and
therefore it is not possible to observed it.
14. A hydrogen atom is inside a gravitational field H

= mgz. Find the changes in the energy
produced by this field in the levels n = 1 and n = 2. Workout the Stark effect for the
n = 2 state of a hydrogenic atom. Hint: H

= eEz
A: For n = 1 there is no degeneracy and E
(1)
1s
= −eE < 1s[x[1s >= 0 (see fig. 7).
For n = 2 one has to compute the matrix H

, where the files and rows are ordered as
2s, 2p0, 2p1, 2p −1:
H

=
_
_
_
_
0 A 0 0
A 0 0 0
0 0 0 0
0 0 0 0
_
_
_
_
, E = 0, ψ
1
=
_
_
_
_
0
0
1
0
_
_
_
_
→[2p1 >, ψ
2
=
_
_
_
_
0
0
0
1
_
_
_
_
→[2p −1 >
E = ±A, ψ
3,4
=
1

2
_
_
_
_
1
±1
0
0
_
_
_
_

1

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 z-component of the angular momenta remains well defined but
the total angular momenta does not.
15. Consider an almost symmetric (in 3-D) harmonic oscillator: V = (1/2)mω
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)mω
2
z
2
so E
nxnynz
= (1/2)mω
2
< z
2
>= (1/2)mω
2
[(2n
z
+ 1)/2α
2
z
].
180 CHAPTER 5. THEORY OF PERTURBATIONS
16. For a two dimensional infinite well of dimensions a a, perturbated by H

= aδ(x −
a
1
)δ(y −a
2
), with 0 < a
1
, a
2
< a find: a) the first non-vanishing correction to the energy
levels, b) the orthonormal wave functions to lowest order. A: The unperturbated solution
is
E
(0)
nl
=
π
2
2ma
2
(n
2
+ l
2
), ψ
(0)
nl
=
2
a
sin
_

a
x
_
sin
_

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 =
_
4α/a
2
sin(2πa
1
/a) sin(πa
2
/a) and B =
_
4α/a
2
sin(πa
1
/a) sin(2πa
2
/a). The
eigenvalues and eigenvectors are
E = 0, ψ
0
=
1

A
2
+ B
2
_
−B
A
_
, and E = A
2
+ B
2
, ψ

=
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

[p0 >= (a/4) <
p0[
_
L
2
+
+ L
2

+ 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, φ
0
=
1

2
_
1
−1
_
, and E = a =
∆I
I
2
x
, φ

=
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

= αL
z
+ βL
y
. Consider
l = 1. A:
H

=
_
_
α −iβ/

2 0
iβ/

2 0 −iβ/

2
0 iβ/

2 −α
_
_
(5.68)
with eigenvalue equation E[α
2
−E
2
+ β
2
] = 0. Then the solutions are:
E = 0, φ
0
=
1
_
2(1 +[α[
2
)
_
_
1
−iα

2
1
_
_
, and E
±
= ±
_
a
2
+ β
2
, φ
±
=
1
2E
+
_
_
α ±E
+


2
α ∓E
+
_
_
(5.69)
20. How do the energy levels of a hydrogenic atom change due to the Spin-Orbit 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 ‘spin-spin’ (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 hyperfine
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 find that for
the first 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 effect (H

= −(e/2m
e
)

B

L), for the state n = 2, without taking
into account the spin.
23. Does the gravitational interaction in the hydrogenic atom break the degeneracy of their
energy levels?. Why yes?, why not?.
24. Raman Spectra, rotational part.
182 CHAPTER 5. THEORY OF PERTURBATIONS
5.7.3 Time dependent perturbation theory, exercises
25. Suppose a plane wave incides on a system such that the interaction is described by
H

= C exp (iωt). Find the probability of transition from the state ‘a’ to the state ‘b’, as
a function of time. Discuss the case of resonance, ω
ba
= E
b
−E
a
c
n
= −i
_
t
0
dt

e
−iωnn
0
t

A
nn
0
e
iωt

= −iA
nn
0
e
i(ω−ωnn
0
)t
−1
i(ω −ω
nn
0
)
(5.70)
P(n, t; n
0
, t = 0) = 4[A
nn
0
[
2
sin
2
(ω −ω
nn
0
)t/2
(ω −ω
nn
0
)
2
→[A
nn
0
[
2
_
t
2
ω →ω
nn
0
(4t/π)δ(ω −ω
nn
0
), for t →∞
26. A system in the ground state of the harmonic oscillator (1-D) is affected by an external
perturbation, given by: a) H

= Cθ(t)θ(T −t), b) H

= Cδ(t −T). Find the probability
that a time later the system can be in the first excited state.
b)
c
1
= −i
_
t
0
dt

e
−iω
10
t

Cx
10
δ(t −T) = −
iC

2 α
e
−iωT
, P(n = 1, t; n = 0, t = 0) =
C
2
2mω
(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 affected by the interaction H

= Aθ(t)θ(T −t)
28. A hydrogen atom is affected by an electric field for a time T: H

= eEzθ(t)θ(T −t). Find
the probability that it changes from the state (n = 1) to the first exited (n = 2)?.
29. A very fast α particle(with velocity v) pass at a distance b of an atom (in the ground
state). Compute the total probability the atom get excited to the first excited state. See
Fig. 9.
A: The distance between the the α-particle and the electron in the atom is R = (vt)
ˆ
i +
b
ˆ
j+r, where r is the position of the electron. The interaction is desctibed by the potential
V =

R
=

_
b
2
+ (vt)
2
+ r
2
+ 2vtx + 2by
·
Zα(vtx + by)
_
b
2
+ (vt)
2
H

nm
=
Zα(vtx
nm
+ by
nm
)
_
b
2
+ (vt)
2
a(t) = −iZα
_

−∞
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 confined 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
_
2µ[V
0
−E] = 2
_
2µ[V
0
−E] a
τ
1/2
= (2a/v) exp[I] =
_
2ma
2
/E exp[2
_
2µ[V
0
−E] a] (5.74)
32. Fowler-Nordheim, cold emission by metal, tunnel effect. Liboff 257.
33. A particle with mass m and energy E is bounded in 1-D 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)
find 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
_
2µ[V (x) −E] = 2
__
a
x
0
dx
_
2µ(V
0
/a)[x −x
0
] +
_
2a
a
dx
_
2µ(V
0
−E)
_
=
4a
3
_
2µV
0
_
(1 −E/V
0
)
3/2
+
3
2
_
1 −E/V
0
_
=
2
3
(5 −2E/V
0
)
_
2µV
0
a
2
(1 −E/V
0
)
τ
1/2
= (2x
0
/v) exp[(2/3)(5 −2E/V
0
)
_
2µV
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 finite spherical well of depth −V
0
, with
angular momenta l > 0. Hint: Find the ‘Effective Potential’. Rework the α-decay but
with the potential V (r) = l(l + 1)/2µr
2
A: The return points are a and b =
_
l(l + 1)/2µE
I =
_
b
a
dr
¸

_
l(l + 1)
2µr
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 α-decay but having into account the angular momenta.
A: The effective potential is
V =
2(Z −2)α
r
+
l(l + 1)
2µr
2
, V
0

2(Z −2)α
a
+
l(l + 1)
2µa
2
,
2(Z −2)α
b
+
l(l + 1)
2µb
2
−E = 0
I =
_
b
a
dr
¸
2(Z −2)α
r
+
l(l + 1)
2µr
2
−E =
_
b
a
dr
r
_
l(l + 1)/2µ + 2(Z −2)αr −Er
2
=
_
l(l + 1)/2µ + 2(Z −2)αr −Er
2
¸
¸
¸
¸
¸
b
a
+ (Z −2)α
_
b
a
dr
_
l(l + 1)/2µ + 2(Z −2)αr −Er
2
+
l(l + 1)

_
b
a
dr
r
_
l(l + 1)/2µ + 2(Z −2)αr −Er
2
= −a
_
V
0
−E

(Z −2)α

E
sin
−1
_
−Er + (Z −2)α
_
(Z −2)
2
α
2
+ l(l + 1)E/2µ

¸
¸
¸
¸
b
a

¸
l(l + 1)

log
1
r
_
2
¸
l(l + 1)

_
l(l + 1)/2µ + 2(Z −2)αr −Er
2
+ 2(Z −2)αr + l(l + 1)/µ

¸
¸
¸
¸
b
a
= −a
_
V
0
−E −
(Z −2)α

E
_
sin
−1
_
(Z −2)α −Eb
_
(Z −2)
2
α
2
+ l(l + 1)E/2µ
_
−sin
−1
_
(Z −2)α −Eb
_
(Z −2)
2
α
2
+ l(l + 1)E/2µ
__

¸
l(l + 1)

log
a
b
(Z −2)αb + l(l + 1)/2µ
_
l(l + 1)(V
0
−E)/2µ a + (Z −2)αa + l(l + 1)/µ
(5.78)
36. Show that the centrifugal potential is negligible in comparison with the coulomb one
A:
V
cent.
V
Coul.
=
l(l + 1)
2µr
2
r
2Zα
=
l(l + 1)c
Zαµr
·
0.197
(90/137) 4
· 0.07 l
2
(5.79)
5.7. PERTURBATION THEORY, EXERCISES 185
37. Obtain the spectra for the infinite well.
A: For a given energy the return points are the walls of the well, x = 0 and x = a.
Bohr-Sommerfeld quantization rules are, then (V (x) = 0 inside the well)

2mE a = (n + 1/2)π, E
n
=
1
2
_
(n + 1/2)π
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 = mω
2
x
2
, so x = ±a =
±
_
2E/mω
2
. Bohr-Sommerfeld quantization rules become in this case
_
a
−a
_
2m(E −mω
2
x
2
/2)dx = 2mω
_
a
0

a
2
−x
2
dx = 2mω
1
2
_
x

a
2
−x
2
+ a
2
sin
−1
(x/a)
_
a
0
= mωa
2
π = (n + 1/2)π, E
n
= (n + 1/2)ω (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. Bohr-Sommerfeld 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)π
E
n
=
_
(n + 1/2)

2
F

2m
_
2/3
=
_
F

2m
_
2/3

n
,
n
=
_
(n + 1/2)

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.
Bohr-Sommerfeld 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)π
E
n
=
_
(n + 1/2)

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)π
E
n
=
_
(n + 1/2)
4
_
π
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
θ(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)π
E
n
= F
_
(n + 1/2)π

2mF c
r
_
2r/(r+2)
, c
r

_
1
0

1 −t
r
dt (5.85)
Thus E
0
= F(π/2

2mF c
r
)
2r/(r+2)
, E
0
= F(3π/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 ‘Effective Potential’ (Compare
with the method used by Sommerfeld to explain the fine structure. See Eisbergs book)
A: In this case we have two quantization rules: l = n
θ
= 1, 2, 3, and
_
p
r
dr = l
_
a
b
−1
_
= n
r
= 0, 1, 2, 3, , E
n
= −
µ
2
_

n
_
2
_
1 +
(Zα)
2
n
_
1
n
θ

3
4n
__
(5.86)
with the principal quantum number n = n
θ
+ n
r
. The second terms give us the fine
structure, obtained by the first time by Sommerfeld around 1919.
5.7. PERTURBATION THEORY, EXERCISES 187
45. Bohr-Sommerfeld in 3-D. Park and Rosner p. 196-99, ref. pie pagina 196. See Phys.
World Jan.-98, p. 29.
5.7.5 Variational Principle
46. Obtain the ground state energy for the infinite well.
A: Let’s try the function ψ = Ax
α
(x−a). The norm and the expectation value of d
2
/dx
2
are
_
a
0
dx[ψ[
2
= [A[
2
a
2α+3
1
(2α + 3)(α + 1)(2α + 1)
_
a
0
dxψ

ψ

= [A[
2
a
2α+1
−α

2
−1
E(α) =
1
2ma
2
α(2α + 3)(α + 1)(2α + 1)

2
−1
(5.87)
One can find a solution a minima for α = 1.0430653 with E = 9.97928 /2ma
2
> E
an.
0
=
π
2
/2ma
2
= 9.8696044/2ma
2
. Notice that additional minimae are obtained for α < 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 ψ = Aexp[−aξ
2
] with ξ =

mω x. Then
< φ[H[φ > =
_
dxφ

_

1
2m
d
2
dx
2
+
1
2

2
x
2
_
φ =
ω[A[
2
2
_
dξe
−2aξ
2
_
2a + (1 −4a
2

2
¸
=
ω[A[
2
2
_
2a + (1 −4a
2
)
1
4a
_ _
π
2a
=
ω
2
[a + 1/4a]
that has a minima for a = 1/2 and E = ω/2, ψ = Ae
−ξ/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. ψ = Ax exp[−αx] (that satisfy the boundary
conditions) so
E =
_

0
dx xe
−αx
[−(α/2m) (αx −2) + Fx
2
] e
−αx
_

0
dx xe
−2αx
=
(2α)
3
2!
_
1
2m
_

(2α)
2

2!α
2
(2α)
3
_
+
3!F
(2α)
4
_
=
α
2
2m
+
3F

(5.88)
188 CHAPTER 5. THEORY OF PERTURBATIONS
it has a minima for α = (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 ψ = Aexp[−αx
2
/2] so
< E > =
_

−∞
dxe
−αx
2
/2
[(−1/2m)d
2
/dx
2
+ Fx
4
] e
−αx
2
/2
_

−∞
dxe
−αx
2
=
_
α
π
_

−∞
dx e
−αx
2
_
(−1/2m)(α
2
x
2
−α) + Fx
4
¸
=

α
_

1
2m
_
α
2


α

α

α
_
+ F
3

2
_
=
α
4m
+
3F

2
(5.89)
There is a minima at α = (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 Bohr-Sommerfeld 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
θ(r).
A: One can choose the trial function ψ = Ax exp[−αx] that satisfy the boundary condi-
tions
< E > =
(−1/2m)
_

0
dxe
−2αx

2
x
2
−2αx) + F
_

0
dxe
−2αx
x
r
_

0
dxe
−2αx
x
2
=
α
2
2m
+
F
2
(r + 2)! (2α)
−r
(5.90)
There is a minima at α = (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 ‘Effective Potential’ (Compare
with the method used by Sommerfeld to explain the fine 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
_
−Zα(1/r
1
+ 1/r
2
) + α/r
12
(5.91)
For the ground state one can use the trial function ψ = (a
3
/8π) 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
/8π]
2
_
d
3
r
1
d
3
r
2
e
−a(r
1
+r
2
)
/r
12
= [a
3
/8π]
2
_
d
3
r
1
dr
2
r
2
2
2πe
−a(r
1
+r
2
)

l≥0
r
l

r
l+1
+
_
1
−1
d cos θ P
l
(cos θ) = [a
6
/16π] 4π
_
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) αa, E = −m[(Z −5/16)α]
2
(5.93)
given that it has a minima at a = (Z −5/16) 2mα. 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
δ(x −a) (Landau 231).
58. Workout numerically the collision of a wavepacket (pe. a gaussian one) with a rectangular
wall.
59. workout the Hartree-Fock 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
1960-s.
[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).
α-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
= −
µ
2
_

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 effect 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 (Zα)
2
Relativistic effects are controlled by the size of the average speed, of the order of (Zα)
2
_
∆E
E
_
E.F.
· v
2
=
_

n
_
2
· 0.5 10
−5
(6.2)
where α ∼ 1/137.035, the fine structure constant. The complete theory is the Dirac equation
(or better the QED), however a good approximation is obtained by using the Schr¨ odinger-Pauli
Equation plus the relativistic effects treated as perturbations. In general the hamiltonian for
a bounded system of two different particles can be described by the Breit-Fermi one (Bethe-
Salpeter 193, Donoghue 129, 335 and Lucha 198) [NRQM, ?, ?]
193
194 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
H =
p
2


α
eff
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
= −

eff
8
_
p
1
m
2
1

p
2
m
2
2
_

1
r
+
α
eff
2m
1
m
2
r
[p
1
p
2
+ ˆr (ˆr p
1
p
2
)]
=
πα
eff
2
_
1
m
2
1
+
1
m
2
2
_
δ
(3)
(r) −
α
eff
2m
1
m
2
r
_
p
2
+ ˆr (ˆr pp)
¸
=
πα
eff
2
_
1
m
2
1
+
1
m
2
2
_
δ
(3)
(r) −
α
eff
2m
1
m
2
_
2
r
p
2

1
r
3
L
2
+
_
p
2
,
1
r
_
−4πδ
(3)
(r)
_
H
3
=
α
eff
2r
3
_
l
1
s
1
m
2
1

l
2
s
2
m
2
2
_
+
α
eff
m
1
m
2
r
3
(l
1
s
2
−l
2
s
1
) =
α
eff
2r
3
_
L s
1
m
2
1
+
L s
2
m
2
2
_
+
α
eff
L s
m
1
m
2
r
3
H
4
=
8πα
eff
3m
1
m
2
δ
(3)
(r)s
1
s
2

α
eff
m
1
m
2
r
3
T, with T = s
1
s
2
−3(s
1
ˆr)(s
2
ˆr)
H
5
=
πα
eff
m
1
m
2
s
2
δ
(3)
(r) (6.3)
where α
eff
= −Zαe
1
e
2
, r = [r[, ˆr = 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 first 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 ‘spin-orbit’ interaction. It is due to the interaction between the
magnetic field generated by the rotating electron (l > 0) and its own magnetic momenta
(µ = g
e
(e/2m
e
) with g
e
∼ 2.00). This is the so called spin-orbit interaction and its
Hamiltonian is (Eisberg-Resnick p. 304, Bjorken p. 51 and Itzykson p. 71).
4. The fourth is the so called ‘spin-spin’ interaction and the
5. fifth 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
µ
n
2
=
α
eff.
µ
n
2
, r
−2
nlm
=
1
a
2
µ
n
3
(l + 1/2)
=

eff.
µ)
2
n
3
(l + 1/2)
, [ψ
nl
(r = 0)[
2
=
δ
l0
π
_
α
eff.
µ
n
_
3
r
−3
nlm
=
_
α
eff.
µ
n
_
3

1
l(l + 1/2)(l + 1)
=
_
1
a
µ
n
_
3
1
l(l + 1/2)(l + 1)
, p
2
= 2µ
_
H
0
+
α
eff.
r
_
L
2
= r
2
p
2
+ 2ir p −r (r pp) ,
_
p
2
,
1
r
_
= 4πδ
(3)
(r) +
2i
r
3
r p,
__
p
2
,
1
r
__
nn
= 0 (6.4)
6.1. HYDROGENIC ATOMS 195
where ´(1/r) = −4πδ
(3)
(r), a
µ
= 1/µα
eff.
is the Bohr’s radius.
Kinetic energy corrections
Using the expression for p
2
one obtains that
∆E
1
= −
µ
2
2
_
1
m
3
1
+
1
m
3
2
_ _
E
2
n
+ 2α
eff.
E
n
_
1
r
_
nlm
+ α
2
eff.
_
1
r
2
_
nlm
_
= −µ
3
_
1
m
3
1
+
1
m
3
2
_

_
3
4

n
l + 1/2
_
_
α
eff.
n
_
2
E
n
(6.5)
where E
n
is the lowest order energy (Bohr’s spectra).
Retardation time contributions
Darwin’s 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 s-states (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
_

eff
µ)
2
n
E
n
δ
l0

_
2 −
3n
l + 1/2
+ 4nδ
l0
_

eff
µ)
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 Wigner-Eckart 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
= σ
i
/2 The contribution with G = L−s
1
+3(s
1
ˆr)ˆr
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(α
eff
µ)
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
α
2
eff
E
n
= −
_
3
4

n
l + 1/2
_
1
n
2

δ
l0
n

j
1
(j
1
+ 1) −l(l + 1) −s
1
(s
1
+ 1)
nl(l + 1)(2l + 1)
_
µ
m
1
_
2
_
1 +
2m
1
m
2
_


2
3m
1
m
2
n
δ
l0
[j(j + 1) −s
1
(s
1
+ 1) −s
2
(s
2
+ 1)] −

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
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 fine contribution is of the order α
2
eff.
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
fine
= −
α
2
eff.
E
n
n
_
3
4n

1
j + 1/2
_
= −
α
2
eff.
E
n
n
_
3
4n

1
n
θ
_
(6.11)
6.1. HYDROGENIC ATOMS 197
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Ionization
Hydrogenic atoms
Bohr’s
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
Hyperfine
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 Bohr’s,
Fine structure, Lamb shift, hyperfine 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
θ
, a new quantum number. It should be observed that the
degeneracy is partially removed. A more complete theoretical answer is provided by the Dirac
equation (Merzbacher p. 607, Schiff p. 471, Bjorken p. 55, Bethe, Rose, Itzykson p. 75,
Brasden p. 201)
E
Dirac
nj
= m
_
¸
_
¸
_
_
_
1 +
_
α
eff.
n −κ +
_
κ
2
−(α
eff.
)
2
_
2
_
_
−1/2
−1
_
¸
_
¸
_
, with κ = J + 1/2
· m
_
1 −
1
2
_
α
eff.
n
_
2
+
1
2
_
α
eff.
n
_
4
_
3
4

n
j + 1/2
_
+ −1
_
(6.12)
with α
eff
= Zα << 1. This expression is in agreement with the formula obtained before.
The fine 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
α
line is shown in the Fig. 2. In general due to
the line width the lines become n
f
(the final principal quantum number) lines: a singlet for the
Lyman, a doublet for the Balmer, a triplet for the Paschen, a quartet for the Brackett, 5 for
the Pfund, etc.
198 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
Figure 6.2: H
α
fine structure and Lamb Shift. From T. H¨ ansch, et al in Nature 235, [Lamb]
6.1.4 Lamb-Retherford shift at order α(Zα)
2
1. Lamb-Retherford shift is the splitting between levels with the same angular momenta
(J), but different orbital angular momenta (l). Those states are degenerate according to
Dirac theory, but due to Quantum Field (QED) effects this degeneracy is broken.
2. Such possibility was already suggested in 1928 by Grotrian (Branden AM 229) when he
proposed to measure the transition 2p
3/2
−2s
1/2
using radio waves to test the Sommerfeld
predictions for fine structure.
3. In 1937 W. Houston and in 1938 R. Williams realized optical experiments, that were inter-
preted by S. Pasternack in 1938 as the splitting of the levels 2p
1/2
−2s
1/2
, in contradiction
with the Dirac’s theory.
4. Unfortunately the experiments were not conclusive about the presence or not of this
splitting, due to the poor resolution of the optical experiments of that time.
5. In 1947 Lamb-Retherford were able to measure by the first time the splitting between
the states 2s
1/2
and 2p
1/2
, in a conclusive manner by using microwaves [Lamb]. They got
∆ν = 1057.77(1) Mhz, with the state 2s
1/2
above the 2p
1/2
(see Fig. 4). They measured
the splitting for deuteron too: ∆ν = 1059.00(1) Mhz.
6. From the theoretical side the first results in the 30-s (Weisskopt in 1934) was a disaster:
the obtain divergent integrals.
6.1. HYDROGENIC ATOMS 199
Effect ∆ν[Mhz]
Vacuum polarizarion -27
Electron mass renormalization 1017
Anomalous magnetic moment 68
Total 1058
Table 6.1: Main contributions to the energy splitting of the 2s
1/2
and 2p
1/2
7. Fortunately the final explanation was given by the Quantum Electrodynamics (QED),
once the radiative corrections are included properly or as it is called: renormalization.
8. This program was implemented by Tomonaga Feynman, Schwinger, etc [?].
9. The first attempt was done by Welton [Lamb] in 1948 who computed the corrections
due to the vacuum fluctuations of the Electromagnetic Fields (Bjorken 59, Itzykson 81),
obtaining
∆E = E(2s
1/2
) −E(2p
1/2
) = −
4

mα(Zα)
4
n
3
[log(Zα)]δ
l0
· 660 Mhz (6.13)
10. A more careful calculation result is (See Itzykson 358, Bjorken 177) [Lamb]
∆E
nl
=
4

m
e
α(Zα)
4
n
3

_
log[m/2 < E
n0
>] + 19/30, if l = 0
log[m(Zα)
2
/2 < E
nl
>] + 3C
lj
/8(2l + 1) if j = l ,= 0
∆E =
m
e
α(Zα)
4
4n
3

_
k(n, 0) if l = 0
k(n, l) ±1/π(j + 1/2)(l + 1/2) if j = l ±1/2
(6.14)
where C
lj
= 1/(l + 1) and C
lj
= −1/l for j = l ± 1/2 respectively. Similarly < E
2s
>=
16.64 mα
2
/2 and < E
2p
>= 0.9704 mα
2
/2. The values for 12.7 < k(n, 0) < 13.3 and
k(n, l > 0) < 0.05, thus it is significant for s-states.
11. Now it is possible to separate both lines for the H
α
line by using the Saturation spec-
troscopy technique, due to A. Schawlow, N. Bloembergen Nobel 1981 and T. H¨ ansch
(Nobel in 2005).
12. Lamb shift provide us with a method to extract proton radius
Hyperfine structure
1. The hyperfine structure was observed by the first time by Michelson in 1891 and later by
C. Fabry and A. Perot in 1897.
200 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
Element ν
exp.
[Mhz] ν
theo.
[Mhz]
H 1057.8446 (29) 1057.851 (2)
D 1059.2337 (29) 1059.271 (25)
He
+
14041.13 (17) 14041.18 (13)
C
5+
780.1 (80) GHz 782.87 GHz
phosphorus 20 188 (29) GHz 20 254(10) GHz
L
1S
H 8172.837 (22) 8172.731 (40)
L
1S
D 8183.966 (22) 8172.811 (32)
L
1S
, U
91+
460.2 (46) eV 463.95 (50) eV
Mg
11+
1s
1/2
−2p
1/2
0.842 50(4) nm
Mg
11+
1s
1/2
−2p
3/2
0.841 90(2) nm
Table 6.2: Lamb shift for hydrogen and other elements [Lamb]
.
Element ν
exp.
[Mhz] ν
theo.
[Mhz]
ν
H
(2S
1/2
−1S
1/2
) 2466 061 413.187 035 (10) 2466 061 413.187 103(46)

D
−ν
H
)(2S
1/2
−1S
1/2
) 670 994.334 606 (15) 670 999.586 6(15)(15)*
ν
µ
+
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
µ-H 0.84184(67)
e −p-scatt. 0.895(18)
H 0.876(8)
Codata 2006 [PDG] 0.8768(69)
Table 6.4: Proton radius extracted from different methods, including Lamb shift in Hydrogen
and muonic hydrogen [Lamb]
6.1. HYDROGENIC ATOMS 201
Element ν
exp.
[Mhz] ν
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
µe 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: Hyperfine 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 field 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 ∼ α
2
(m
e
/m
p
) E
n
, so it is smaller than
the fine 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 fine structure
and hyperfine 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 [hyperfine]:
(a) nucleia mass
(b) nonzero nuclear radius
(c) higher order multipolar momenta of the nucleia.
6. Here we only take into account the first (Bransden p. 233, Gasiorowicz p. 277, Griffths
p. 158, Eisberg p. 439, Bethe ).
7. The nuclear (electron) magnetic dipole is
µ
N
= g
N
µ
N
s
N
µ
e
= −g
e
µ
B
s
e
(6.15)
(a) with µ
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 µ
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

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 hyperfine structure.
10. Note that each hyperfine state still has a 2f +1 degeneracy associated with the different
possible values of m
f
.
11. For example, in the ground state splits in an f = 0 state, the real ground state. The first
exited state is a triplet with f = 1.
12. This degeneracy can be broken by the presence of an external magnetic field. For the
specific case of the ground state of the hydrogen atom [hyperfine] (n = 1), the energy
separation between the states of f = 1 and f = 0 is (see Fig. 4) is of the order ν =
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 best-known 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

+
α
eff
r
+
4

i=1
H
i
H
1
= −
1
4m
3
p
4
, H
2
=
πα
eff
m
2
δ
(3)
(r) −
α
eff
2m
2
r
_
p
2
+ ˆr (ˆr pp)
¸
H
3
=

eff
2m
2
r
3
l s, H
4
=
8πα
eff
3m
2
δ
(3)
(r)s
1
s
2

α
eff
m
2
r
3
T
H
5
=
πα
eff
m
2
s
2
δ
(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 −δ
l0
)(1 −δ
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 −δ
l0
)(1 −δ
s0
) (6.18)
The energy (with E
n
= −(m/4)(α
eff
/n)
2
)
E
1
= −
_
3
4

n
l + 1/2
_
_
α
eff.
2n
_
2
E
n
E
2
= −
_
6nδ
l0
+ 2 −
3n
l + 1/2
_
_
α
eff
2n
_
2
E
n
E
3
= −

2
eff.
E
n
2n

< L S >
l(l + 1)(2l + 1)
E
4
= −

2
eff
E
n
3n
_
s(s + 1) −
3
2
_
δ
l0

α
2
eff
E
n
n
< T >
l(l + 1)(2l + 1)
E
5
= −E
n

α
2
eff.
2n
s(s + 1)δ
l0
(6.19)
and
E
1
+ E
2
= −
_
11
16n
+
3
2
δ
l0

2
2l + 1
_
α
2
eff.
E
n
n
E
3
+ E
4
+ E
5
= −
α
2
eff
E
n
n
_
7
6
s(s + 1) −1
_
δ
l0

α
2
eff.
E
n
2n

3 < L S > −2 < T >
l(l + 1)(2l + 1)
(6.20)
and
204 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
line ν
exp.
[MHz] ν
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
= −
α
2
eff.
E
n
n
_
11
16n
+
1
2
δ
l0

2
2l + 1
+
lsj
_
,

l, s=1, j
=
7
3
δ
l0
+
1 −δ
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(Bethe-Salpeter 117, Itzykson 493-508, Akhiezer 532)
∆E
njl
= −

2
eff.
E
n
3n
_
11
32n
+
lsj

1
2l + 1
_
,
l, s=1, j
=
7
6
δ
l0
+
1 −δ
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
) =
7mα
4
12
_
1 −
α
π
_
32
21
+
6
7
ln 2
_
+
_
(6.23)
6.2 Hydrogenic atoms in external fields
6.2.1 Zeeman effect
1. It was observed by the first time by P. Zeeman in 1896.
2. It consists in the splitting produced by an external magnetic field.
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

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
..................
η
b
(1s)
..................
η
b
(2s)
..................
η
b
(3s)
Υ(1s)
Υ(2s)
Υ(3s)
Υ(4s)
Υ(10860)
Υ(11020)
Bottomonium: b
¯
b
..................
h
b
(1p)
..................
h
b
(2p)
χ
b
0
(1p)
χ
b
0
(2p)
χ
b
1
(1p)
χ
b
1
(2p)
χ
b
2
(1p)
χ
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
µ
B
s B (6.24)
with g
e
· 2 for the electron.
4. In the case the magnetic fields doesn’t change appreciably over atomic distances A =
B ∧ r/2 and
H

=
e
2m
B L + g
e
µ
B
s B+
e
2
8m
_
r
2
B
2
−(r A)
2
¸
· µ
B
(L + 2s) B (6.25)
5. valid (the quadratic term can ne neglected) for ‘weak’ fields :
e
2
A
2
/2m
aA/m
· a
2
0
eB/4 ∼ B/10
6
Teslas (6.26)
Normal Zeeman effect
1. If the field is strong enough so the produced splitting is very small in comparison with
the fine 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
>= µ
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 fields 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 effect for the first two levels of hydrogenic atoms. For the allowed
transitions see selection rules at subsection (7.1.6)
Anomalous Zeeman effect
1. Now the field 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 >= µ
B
B(m
j
+ < njm
j
, ls[s
z
[njm
j
, ls >) = m
j

B
B
g = 1 +
j(j + 1) + s(s + 1) −l(l + 1)
2j(j + 1)
(6.29)
2. where g is the Land´e 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 Wigner-Eckart theo-
rem, as well as the Chlebsh-Gordan coefficients)
< 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 effect was analyzed
theoretically spin was not known and no explanation was obtained, therefore the name
Anomalous Zeeman effect.
6.2.2 Paschen-Back effect
It is obtained when the magnetic field 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 suffer an additional splittins.
208 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
6.2.3 Stark effect
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 field E and the Hamiltonian is
H

= eE x (6.31)
3. The effect 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 fields are of the order eE ∼ 10 MeV/m.
4. On the contrary the effect is weak if the electrical field is eE << 0.1 MeV/m
5. For the Strong Electric field, where Fine Structure is negligible
∆E
nlm
= eE < nlm[z[nl

m

>= (−1)
l+l

(−1)eE < nlm[z[nl

m

> (6.32)
and vanish for l + l

even (like for the diagonal elements), or m ,= m

.
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
_
ψ
2s

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, ψ
2p,m±1
∆E = ±3eEa
0
/Z, ψ
±
= (ψ
2
s ±ψ
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 z-component of the angular momenta is still conserved because the system is sym-
metric under rotations around the z-axis, the electric field.
9. An interesting effect due to Stark effect is the dramatic change of the 2s lifetime :
(a) normally, in the vacuum its lifetime is τ
2s
· (1/7) sec. (> 420 sec)!.
(b) However if an external electric field is present the lifetime change to a typical atomic
valued of τ · 1.3 10
−12
sec.! (for a field of eE · 10 MeV/m).
(c) The change is due to the fact than the new field 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 first 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(4π
0
)
a
3
0
Z
4
E
2
(6.35)
11. as we can see the effect is very small and depends of the square of the electric field this
is why is called the Quadratic Stark effect.
12. Finally let us mention another effect due to the presence of an external electric field: it
is the atomic ionization predicted by J. Oppenheimer in 1928.
13. As it is shown in the fig. the nuclear coulombic field is modified by the presence of the
external electric field.
14. The resulting potential energy shows a ‘bag’ around the nucleus but as one can see the
confined electron can scape by penetrating the barrier, the tunnel effect. 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
_
−Zα
_
1
r
1
+
1
r
2
_
+
α
[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)(Zα/1)
2
= −m(Zα)
2
= −108.8 eV. Taking into account the electrostatic repul-
sion, perturbatively it is obtained that
E
0
= −m(Zα)
2
+ α
_
d
3
x
1
d
3
x
2

1s
[
2
[r
1
−r
2
[
= −m(Zα)
2
+
5Z
8

2
= −Z
_
Z −
5
8
_

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
ψ(r
1
, r
2
) =
(mZ

α)
3
π
e
−mZ

α(r
1
+r
2
)
(6.38)
been Z

the variational parameter. The result is obtained to be
E
0
= −mα
2
_
(Z

)
2
−2ZZ

+
5
8
Z

_
= −mα
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(Zα)
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

−27.2 -10.2 -12.9 -14.368 0.754212 0.75(1)
2 He −108.9 -74.8 -77.5 -79.023 24.5875449 24.58756(2)
3 Li
+
-244.9 -193.9 -196.5 -198.10 75.6406998 75.6406(3)
4 Be
2+
-435.4 -367.4 -370.1 -371.7 153.8975 153.89(1)
5 B
3+
-680.3 -595.4 -597.8 -599.473 259.3769 259.37(2)
6 C
4+
-979.6 -877.6 -880.3 -881.939 392.0951 392.09(4)
Table: Ground state energies (in eV) for two electron atoms. Bransden, QM 490 and AM 270,
279. E
exp.
ion.
in Fl¨ ugge II, 61-65 tables. Frankowski, Pekerrs Schwatz (?).
6.3. SEVERAL ELECTRONS ATOMS 211
Exited states energies can be estimated by neglecting the electrostatic repulsion: are the
states 1s2l, with l = 0, 1, thus E
1
= −(5/2)mα
2
= −28.03 eV. It can improved by taking
into account the electrostatic repulsion, perturbatively. Given that the wavefunction has to be
antisymmetric on can write that
ψ
para
lm
l
=
1

2

1s
(r
1

2l
(r
2
) + ψ
1s
(r
2

2l
(r
1
)] χ
00
ψ
ortho
lm
l
ms
=
1

2

1s
(r
1

2l
(r
2
) −ψ
1s
(r
2

2l
(r
1
)] χ
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 = α
_
d
3
r
1
d
3
r
2
r
12

1s
(r
1
)[
2

2l
(r
2
)[
2
±α
_
d
3
r
1
d
3
r
2
r
12
ψ

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


r
_
+
N

i>j
α
r
ij
(6.43)
6.3.3 General Considerations
Pauli Exclusion’s Principle, Slater’s 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:
ψ
S
(1, 2, , N) =
1

N!

P
ψ
α
(1)ψ
β
(2) ψ
ω
(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
ψ
A
(1, 2, , N) =
1

N!
¸
¸
¸
¸
¸
¸
¸
¸
¸
ψ
α
(1) ψ
α
(2) ψ
α
(N)
ψ
β
(1) ψ
β
(2) ψ
β
(N)
.
.
.
.
.
.
.
.
.
.
.
.
ψ
ω
(1) ψ
ω
(2) ψ
ω
(N)
¸
¸
¸
¸
¸
¸
¸
¸
¸
(6.45)
For example for the case of two electrons one obtains
ψ
A
(r
1
, r
2
) =
1

2

α
(r
1

β
(r
2
) −ψ
α
(r
2

β
(r
1
)] triplet
ψ
S
(r
1
, r
2
) =
1

2

α
(r
1

β
(r
2
) + ψ
α
(r
2

β
(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
ψ(1) = ψ(r
1
, t)χ(s
1
) (6.47)
Exchange Forces
Let’s consider the case of two electrons: one has a triplet with spin one and a singlet with spin
zero. In the first 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 first 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 ψ
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 ψ
A
(r
1
, r
2
) ∼


α
(r
1

β
(r
1
) ,= 0, so
this configuration is energetically favored and the ‘interchange force’ is attractive. See fig. 9-7
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


r
i
_
+
N

i>j
α
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
α
r
ij

N

i
_

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 first hamiltonian, for one electron!. Once have the
energy levels fill 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
Thomas-Fermi
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

2
with N(E)dE =
(2m)
3/2
V

2
E
1/2
dE (6.49)
so E
f
= (2π
2
N/V )
2/3
/2m. Now E
f
= −V (r) (all levels filled?, Virial, Bransden AM 313)
so
N/V =
(−2mV (r))
3/2

2
(6.50)
Selfconsistency means that Gauss Law has to be satisfied:

2
φ = −ρ/
0
(6.51)
where V (r) = −eφ and ρ = −eN/V . So φ(r) has to satisfy the equation (selfconsistency)
1
r
d
2
dr
2
rV (r) = −


[−2mV (r)]
3/2
(6.52)
Redefining r ≡ bx, b = (3π)
2/3
/2
7/3
mαZ
1/3
= 0.8853/mαZ
1/3
and V = −Zα χ(r)/r one
has
214 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
d
2
χ(r)
dx
2
=
1
x
1/2
χ
3/2
(6.53)
with the boundary conditions
V (r) →
_
−Zα/r for r →0
−(Z −N + 1)α/r for r →∞
χ(r) →
_
1 for x →0
(Z −N)/Z + 1/Z · 0 for x →∞
(6.54)
Having χ one has V to solve the Schr¨odinger equation. Once the energy eigenvalues are
obtains the electrons can be placed in such way that the Pauli’s exclusion principle is obeyed.
It is noticeable that it works also for atoms with small atomic number
Hartree-Fock
Initially developed by Douglas and Hartree in 1928, however the first computer calculation was
done by the first time by Herman and Skillman in the 60-s. The idea is that each electron moves
under the influence 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 find
an initial guess for the potential satisfying asymptotic conditions. Then solve the Schr¨odinger
Equation for one electron to find the wavefunction and the charge density ρ = −e[ψ[
2
and from
it the electric potential φ, by solving the Poisson eq. (6.51) (Eisberg, Limusa).
ρ(r) = ρ(r
k
) =
1
4πr
2
_
dΩ

i=k

i
(r)[
2
(6.55)
Given that the potential is related to the electric potential by V = −eφ 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 self-consistent.
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 configuration. 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 effects.
6.4 Molecules
6.4.1 Born-Oppenheimer
Hydrogen molecule, Morse Potential
6.4.2 Electronic Spectra
6.4.3 Roto-vibrational 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
−2δ
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 finally 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 satisfied 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 Wigner-Eckart 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 satisfied [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 (ˆr s) ˆs and J = L +s
A: One has that
G

J = s
2
−3 (ˆr s)
2
+s L −3 (s ˆr) ˆr L = s L (6.66)
Given that for a spin s = 1/2 particles s
2
= 3 (ˆr s)
2
, for the properties of the Pauli
matrices and ˆr L = 0 for the definition of L .
218 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
6. Obtain < lm[ˆ r
i
ˆ r
j
[l

m

> where ˆr = r/r (Gershtein, hep-ph/9504319, Kwong and Rosner,
Phys. Rev. D38, 279, Landau III in nuclear hyperfine structure, Eichten and Quigg, PR
D49, 5845 (1994)).
A: < lm[ˆ r
i
ˆ r
j
[l

m

>= a(L
i
L
j
+ L
j
L
i
)
mm
+ bδ
ij
δ
mm
. Given that a) ˆ r
i
ˆ r
i
= 1, b) ˆ r
i
L
j
= 0
and c) the conmutation relations for L one obtains a and b, so
< lm[ˆ r
i
ˆ r
j
[l

m

>= −
1
4L
2
−3
_
(L
i
L
j
+ L
j
L
i
)
mm
−(2L
2
−1)δ
ij
δ
mm

¸
(6.67)
7. Obtain < lm[6 [ˆ r
i
ˆ r
j
−δ
ij
/3] s
i
1
s
j
2
[l

m

> where ˆr = r/r
A: Given that s = s
1
+ s
2
, s ˆr = s
1
ˆr + s
2
ˆr, taking their squares and using the
fact that [s
i
ˆr]
2
= s
2
i
and s
i
1
s
j
2
+ s
j
1
s
i
2
= δ
ij
/2 one obtains that [ˆ r
i
ˆ r
j
−δ
ij
/3] s
i
1
s
j
2
=
[ˆ r
i
ˆ r
j
−δ
ij
/3] s
i
s
j
/2. Thus, using the commutation relations for s and L (BS 348, 109)
< lm[6 [ˆ r
i
ˆ r
j
−δ
ij
/3] s
i
1
s
j
2
[l

m

>= −
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 4-10, 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 ‘Spin-orbit’ interaction H

2
= (Zα/2m
2
)L s/r
3
. What is
the physics behind the ‘Spin-orbit’ 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 Darwin’s tem:
H

=
πZα
2m
2
δ
(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
= −
_

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
α
and H
β
when it is possible to measure the ‘Fine structure’ ?:
Find the energetic and optical spectra. Workout the numerical values for hydrogen and
for Z = 92. Considering the Doppler broadening of the lines and without it? and the
natural width of each of the H
α
lines (see radiation chapter) and T = 300
o
K.
6.5.4 Lamb-Retherford
19. The contribution of the vacuum polarization to the Lamb shift is (Itzykson 328, Bjorken
158)
∆E
nl
= −
4
15π
α(Zα)
4
n
3

nl
· −27 MeV (6.71)
20. Lamb-Retherford E
Dirac
1s
= 132 279.96 eV [ref 9], E
exp.
1s
= 131 812 eV. U
91+
. ν = 468(13)
eV. PNU #506.T. Stoeklker, et al., Phys. Rev. Lett. 85, 3109 (2000) (good rev.).
Lyman-alpha (n = 2 →n = 1).
A: A:
∆E
njl
E
n
= −
α
2
(Zα)
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 find the energetic and optical spectra in the approximations: a) Schr¨ odinger,
b) Fine structure, c) Lamb-Retherford.
22. About the Lamb-Retherford Schiff find its: history, the physics, size, etc. Is it possible
to have the Lamb-Retherford swift for multielectron atoms?, why?, for positronium?
6.5.5 Hyperfine structure
23. Obtain the hyperfine lagrangian, taking into account the magnetic field 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 field (obtained
with the help of the last two identities)
A =
−µ
0

_
µ
N

1
r
_
=
µ
0

µ
N
r
r
3
B = ∇A =
µ
0
4πr
3
_
3

N
r)r
r
2
−µ
N
_
+ µ
0
µ
N
δ
(3)
(r)
∇∧ (A∧ B) = (∇ B) A−(∇ A) B+ (B ∇) A−(A ∇) B

i

j
1
r
= −
_
1
r
3
+
4
3
πδ
(3)
(r)
_
δ
ij
+
3r
i
r
j
r
5
(6.73)
There are two contributions to the energy (see Fig. 3): the nuclear ‘spin-orbit’ and the
‘spin-spin’
H
h.f.
= H
s−l
+ H
ss
= −
ie
m
A ∇−µ
e
B
=
αg
N
2m
e
m
p
_
L s
N
r
3

1
r
3
[s
N
s
e
−3(s
N
ˆr)(s
e
ˆr)] +

3
s
N
s
e
δ
(3)
(r)
_
(6.74)
the hyperfine hamiltonian used before.
24. Obtain the hyperfine energy correction for l = 0
A: Since the electron has no orbital angular momentum, there is no nuclear spin-orbit
effect. It can be shown that because the wavefunction has spherical symmetry, only the
delta function term contributes from the spin-spin Hamiltonian. First order perturbation
theory yields
∆E
l=0
hf
=
4πg
p
α
3mm
p
(s
N
s
e
) [ψ(r = 0)[
2
= −
4g
N
m
e
3m
p
E
n

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 hyperfine structure?
26. Sketch what happens for the energetic spectra for the level n = 2 when the experimental
resolution increases to measure: the fine structure, the Lamb-Retherford, the Lamb-
Retherford and the hyperfine structure.
27. Find the frequency emitted when positronium makes the transition between the first two
energy levels, considering the hyperfine structure.
28. Find the frequency emitted when hydrogen makes the transition between the first two
energy levels, considering the hyperfine structure.
29. Find the frequency emitted when U91 (Uranium atoms with only one electron!) makes
the transition between the first two energy levels, considering the hyperfine 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

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
)Zα
2
(6.76)
and ∆E
nj
/E
n
= 1.110
−7
for hydrogen and ∆E
nj
/E
n
= 410
−8
for U
92
. And ν
theo.
= 1391
hz and ν
exp.
= 1420 hz
6.5.6 Zeeman and Stark effects
32. Show that < s
z
>= m[j(j +1) +s(s +1) −l(l +1)]/2j(j +1) by using the Wigner-Eckart
theorem and the Clebsh-Gordan coefficients.
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
l−1/2,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
α
in the case of the ‘Normal’ Zeeman effect?. Find the
energetic spectra and the optical one.
34. Describe the Normal, the anomalous effects.
35. What is the Pashen-Bach effect
36. Sketch the spectra for the Anomalous Zeeman effect for the line 2d
3/2
−1s
1/2
37. Sketch the spectra for the Anomalous Zeeman effect for the line 3d
5/2
−2p
3/2
38. Sketch the spectra for the Anomalous Zeeman effect for the line 2d
3/2
−1s
1/2
.
39. Obtain the energetic splitting for a level n = 2 when it is exposed to a magnetic field of
a) B = 10 T and b) B = 0.5 10
−4
T.
A: They are, respectively Normal and anomalous Zeeman effects.
40. What happens to the lines H
α
and H
β
line due to the ‘Normal’ Zeeman effect?.
41. Is the angular momenta l a good quantum number when external electrical fields are
present?
42. Is the angular momenta projection along a constant electric field, m a good quantum
number when external electrical field is present?.
43. For the Stark effect of the line n = 3, what is the dimension of the matrix one has to
diagonalize. Which matrix elements vanish?
The states are 3s, 3p0, 3p1, 3p-1, 3d0, 3d1, 3d-1, 3d2, 3d-2 and the matrix to be diago-
nalized has the form
_
_
_
_
_
_
_
_
_
_
_
_
_
_
0 a 0 0 0 0 0 0 0
a 0 0 0 b 0 0 0 0
0 0 0 0 0 c 0 0 0
0 0 0 0 0 0 d 0 0
0 b 0 0 0 0 0 0 0
0 0 c 0 0 0 0 0 0
0 0 0 d 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
_
_
_
_
_
_
_
_
_
_
_
_
_
_
E
3
_
E
6
−(a
2
+ b
2
+ c
2
+ d
2
)E
4
+ (a
2
c
2
+ b
2
c
2
+ a
2
d
2
+ b
2
d
2
+ c
2
d
2
)E
2
−(a
2
+ b
2
)c
2
d
2
¸
= 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) field?
A: Yes, due to the tunnel effect.
45. Briefly, what is the Hartree-Fock approximation?.
224 CHAPTER 6. TOPICS IN ATOMIC PHYSICS
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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 fields
are classical. Classical Fields can be obtained from the potentials (scalar and vector ones):
E = −∇φ −

∂t
A, B = ∇∧ A (7.1)
A monochromatic wave can be described as
A = A
0
cos(k x −ωt), E = −ωA
0
sin(k x −ωt)), B = −A
0
k ∧ sin(k x −ωt) (7.2)
with φ = 0, ∇ A = 0 so k = 0 (in the gauge of Coulomb, radiation or transverse). For
this case the energy density and the energy flux, or the Poynting vector are
< u >=

0
2
_
< E
2
> + < B
2
>
_
=

0
2
ω
2
A
2
0
= nω
< S >=
0
< E ∧ B >, [ < S > [ =

0
2
ω
2
A
2
0
= nω (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
+ eφ =
1
2m
_
p
2
+ e
2
A
2
−ep A−eA p + eφ
_
= 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 + eφ, the quadratic term was assumed
to be negligible for normal fields. The interaction in then characterized by H

. Given an atomic
system interacting with radiation the wavefunction is, according to the time perturbation theory
ψ(t) =

n
a
n
(t)e
iEnt
ψ
(0)
(t), i a
n
=

k
H

nk
e

nk
t
a
k
H

nk
= < n[H

[k >= −
eA
0
m
< n[ cos (k x −ωt) 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 (λ = 4000−7000
˚
A)
and a
B
/λ = 4.5 −7.8 10
−4
. The expansion is
e
k·x
= 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 first order, in the electric dipole approximation
H

nk
= −
eA
0
m
cos(ωt) < n[ p[k >= −ieA
0
cos(ωt) < n[ [H
0
, x][k >= −ieA
0
ω
nk
cos(ωt) x
nk
(7.7)
where the relation p = im[H
0
, x] = im[p
2
/2m+V, x] was used and ω
nk
= E
n
−E
k
. Thus
the equations to be solved are
˙ a
n
= −eA
0
cos (ωt)

k
ω
nk
x
nk
a
k
(7.8)
Now one can take the ‘two state’ approximation, given that only the frecuency close to
ω · ω
nk
gets exited, while the other proper frecuencies do not participate. In this approximation
˙ a
a
= c cos (ωt) e
−iω
0
t
a
b
· c cos (ωt) e
−iω
0
t
a
(0)
b
˙ a
b
= −c cos (ωt) e

0
t
a
a
· −c cos (ωt) e

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
iωt
+ e
−iωt
_
e

0
t
dt (7.10)
with c = eA
0
ω
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
iωt
+ e
−iωt
_
e

0
t
dt
¸
¸
¸
¸
2
·
[c[
2
4
_
t
−T
_
e
iωt
+ e
−iωt
_
e

0
t
dt
_
t
−T
_
e
iωt
+ e
−iωt
_
e
−iω
0
t
dt
·
[c[
2
4
[2πδ(ω −ω
0
) + 0]
_
t
−T
_
e
iωt
+ e
−iωt
_
e
−iω
0
t
dt ·
π[c[
2
2
δ(ω −ω
0
)
__
t
−T
dt +
_
t
−T
e
−2iω
0
t
dt
_
·
π[c[
2
2
δ(ω −ω
0
)(t + T)
R(a →b) ≡
P(a →b)
t + T
=
π[c[
2
2
δ(ω −ω
0
) = 4π
2
αu[ x
nk
[
2
δ(ω −ω
0
) (7.11)
the ratio of absortion: the probability of transition by unit of time, for a given frecuency
and polarization. Notice the dirac’s delta mantaining the energy conservation. Given that not
all frecuencies are absorved
∆R = 4π
2
α∆u[ x
nk
[
2
δ(ω −ω
0
) = 4π
2
αI(ω)[ x
nk
[
2
δ(ω −ω
0
)∆ω
∆R = 4π
2
α
_
dωI(ω)[ x
nk
[
2
δ(ω −ω
0
)dω = 4π
2
αI(ω
0
)[ x
nk
[
2
(7.12)
where the incident flux I = ∆u/∆ω. The absortion differential cross section
dσ =
∆R
I
dΩ

,

dΩ
= πα[ x
nk
[
2
¯ σ = πα[x
nk
[
2
_
1
−1
1
2
_
sin
2
θ + 0
¸
2πd cos θ =

2
3
α[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
iωt
+ e
−iωt
_
e

0
t
dt (7.14)
232 CHAPTER 7. RADIATION
sot the result is the same, interchanging the initial and final 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 final states
7.1.4 Spontaneous emision
In this case emision is possible even in the absense of external fields. As we have seen, according
to the semiclassical theory of radiation.
R(a →b) ≡ R
ind.
(b →a) = 4π
2
αu[ x
nk
[
2
δ(ω −ω
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 = nω = (N/V )ω: the numeber of photons of
energy ω in a given volume V . The result in this case is [?]
R
abs.
(a →b) = 4π
2
α
N
V
ω
ba
[ x
ba
[
2
δ(ω −ω
0
)
R
emi.
(b →a) = 4π
2
α
N + 1
V
ω
ba
[ x
ba
[
2
δ(ω −ω
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 final states: d
3
n =
V d
3
k/(2π)
3
, where k is the photon momenta:

spo.
= R
spo.
d
3
n = 4π
2
α
V
ω
ba
[ x
ba
[
2
δ(ω −ω
0
)d
3
n = 4π
2
α
V
ω
ba
[ x
ba
[
2
δ(ω −ω
0
)
V ωdω dΩ
(2π)
3

spo.
dΩ
=
α

ω
3
ba
[ x
ba
[
2
, Γ
spo.
=

3
ω
3
ba
[x
ba
[
2
,
¯
Γ
spo.
=
1
g
b

a, b
Γ(b →a) (7.18)
the angular distribution for a given photon polarization, initial (final) 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 final ones. Finally the lifetime of a given
state is τ = 1/Γ (adding over all possible final states), given that
˙
N = −NΓ (N is the number
of exited atoms at time t) and
N = N
0
e
−Γt
(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 Bethe-Salpeter 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 that is forbidden; and ∆m
J
= 0, ±1.
For the quadrupole one has the selection rules: ∆l = 0, ±2 (except the transition from
l = 0 to l

= 0) and ∆m = 0, ±1, ±2.
7.1.7 Half-life and line width. Photoelectric effect
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 α(x, t)
ψ →exp[iα(x)]ψ, qA
µ
→qA
µ
+ ∂
µ
α (7.20)
2. For a diatomic molecule bounded by a potential, that can be approximated by a 1-D
harmonic oscilator compute the lifetime of the first exited state, with ω = 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 ω is
P =
1
3
ω
4
d
2

0
=
4
3
ω
4
e
2

0
=
4
3
αω
4
x
2
= Γω (7.21)
8. Complete the ‘Grotrian diagram for a) an spherical infinite 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 Γ(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

spo.
dΩ
=
α

ω
3
ba
[ x
ba
[
2
, Γ
spo.
=

3
ω
3
ba
[x
ba
[
2
,
¯
Γ
spo.
=
1
g
b

a, b
Γ(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
:

dΩ
=
α

ω
3
ba
b
2
6
cos θ, Γ =

9
ω
3
ba
b
2
m = ±1,
2
:

dΩ
=
α

ω
3
ba
b
2
6
, Γ =
α
3
ω
3
ba
b
2
m = 0,
1
:

dΩ
=
α

ω
3
ba
b
2
3
sin θ, Γ =

9
ω
3
ba
b
2
m = 0,
2
:

dΩ
= 0, Γ = 0 (7.24)
if the atoms are initially polarized and final 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, 2p−1
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 dΓ/dΩ and Γ 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. Addison-Wesley 1967.
J. Sobelman, Atomic Spectra and radiative transitions, Springer-Verlag 1992.
J. Morcillo y J. Orza, Especstroscopia, Alhambra 1972.
[2] Aharonov-Bohm effect.
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 1958-98, www.bell-labs.com/history/laser/
D. O’Shea 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. Lab-CM
One is looking for a solution to the SE with boundary conditions [Scattering theory]:
ψ
in
= Ae
ik
i
·x
, ψ
out
= A
_
e
ik
i
·x
+ f(θ, φ)
e
ik
f
·x
r
_
(8.1)
In order to get the cross section one has to obtain the incoming and outgoing fluxes (J =
−(i/2m) [ψ

∇ψ −(∇ψ)

ψ]:
J
in
= [A[
2
k
i
m
, J
out
= [A[
2
[f[
2
r
2
k
f
m
(8.2)
and

dΩ

dP
f
/dΩdt
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 differential cross section:

dΩ
= [f[
2
, σ =
_
dΩ

dΩ
=
_
dΩ[f[
2
(8.4)
239
240 CHAPTER 8. SCATTERING THEORY
6 41. Plots of cross sections and related quantities
σ and Rin e
+
e

Collisions
10
-8
10
-7
10
-6
10
-5
10
-4
10
-3
10
-2
1 10 10
2
σ
[
m
b
]
ω
ρ
φ
ρ

J/ψ
ψ(2S)
Υ
Z
10
-1
1
10
10
2
10
3
1 10 10
2
R
ω
ρ
φ
ρ

J/ψ
ψ(2S)
Υ
Z

s [GeV]
Figure 41.6: World data on the total cross section of e
+
e

→ hadrons and the ratio R(s) = σ(e
+
e

→ hadrons, s)/σ(e
+
e

→ μ
+
μ

, s).
σ(e
+
e

→ hadrons, s) is the experimental cross section corrected for initial state radiation and electron-positron vertex loops, σ(e
+
e


μ
+
μ

, s) = 4πα
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 quark-parton model prediction, and the solid one (red) is 3-loop 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)). Breit-Wigner
parameterizations of J/ψ, ψ(2S), and Υ(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:hep-ph/0312114]. Corresponding computer-readable data files are available at
http://pdg.lbl.gov/current/xsect/. (Courtesy of the COMPAS (Protvino) and HEPDATA (Durham) Groups, May 2010.) See full-color
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 center-of-mass
energy. Corresponding computer-readable data files 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
πd
πp
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
π
+
p
total
π
+
p
elastic
π

d
total
π

p
total
π

p
elastic
Figure 41.13: Total and elastic cross sections for π
±
p and π
±
d (total only) collisions as a function of laboratory beam momentum and total
center-of-mass energy. Corresponding computer-readable data files may be found at http://pdg.lbl.gov/current/xsect/. (Courtesy of the
COMPAS Group, IHEP, Protvino, August 2005)
8.2. INTEGRAL SCHR
¨
ODINGER EQUATION 243
8.2 Integral Schr¨odinger Equation
One has to solve the SE Hψ = Eψ. In general the hamiltonian can be split as H = H
0
+ V ,
where the solution to the equation H
0
ψ
n
= E
n
ψ
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 Green’s functions
ψ(x) =
_
dx

G(x, x

)V (v

)ψ(x

), (H
0
−E) G(x, x

) = −δ(x −x

) (8.5)
This is the Integral SE. The Green’s function can be written as
G(x, x

) = −

n
ψ
n
(x)ψ

n
(x

)
E
n
−E
(8.6)
where the completeness relation has to be valid:

n
ψ
n
(x)ψ

n
(x

) = δ(x −x

). A particular
case is obtained by choosing H
0
= −(1/2m)∇
2
, so the solution are the plane waves:
ψ
k
=
1
(2π)
3/2
e
k
i
·x
, E
k
=
k
2
2m
(8.7)
so the Green’s function in this case becomes
G(x, x

) =
−1
(2π)
3
_
d
3
k

E
k
−E
k
e
ik

·(x−x

)
=
−2m
(2π)
2
_
k

2
dk

dx
k

2
−k
2
e
ik

rx
=
−2m
(2π)
2
ir
_

0
k

dk

k

2
−k
2
_
e
ik

r
−e
−ik

r
_
=
−2m
(2π)
2
ir
_

−∞
k

dk

k

2
−k
2
e
ik

r
=
−2m
(2π)
2
ir
_
πie
ikr
¸
=
−m
2πr
e
ikr
(8.8)
with r = [x −x

[. Thus one obtains the Integral SE:
ψ(x) =
−m

_
dx

exp[ik[x −x

[]
[x −x

[
V (x

)ψ(x

) (8.9)
and given that usually [x

[ << [x[ one expands [x −x

[ · [x[ −x x

/[x[ + and
ψ(x) =
−m
2πr
e
ik
f
·r
_
dx

e
−ik
f
·x

V (x

)ψ(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:
ψ(x) · ψ
inc.
= Ae
ik
i
·x
ψ
disp
= −
mA
2πr
e
ik
f
·x
_
d
3
x

e
−ik
f
·x

V (x

)e
ik
i
·x

=
Af
r
e
ik
f
·x
f(θ, φ) = −
m

_
d
3
x

e
−iq·x

V (x

) (8.11)
with q = k
f
− k
i
, the transferred momenta. That give us the so called Fermi’s Golden
Rule to compute f, at leading order. Two important cases are the Yukawa and the Coulomb
potentials (a particular case when β = 0):
V =

r
e
−βr
(8.12)
Applying Fermi’s golden rule one obtain
f(θ, φ) = −
mZα


β
2
+ q
2
_

dΩ
_
Ruth.
=
_
2mZα
q
2
_
2
=
(Zα)
2
16E
2
sin
4
(θ/2)
σ
Yukawa
= 4π
_
2mZα
β
_
2
1
4k
2
+ β
2
=
4π(Zα)
2
E
2
0
(1 + 4E/E
0
)
(8.13)
with q
2
= 4k
2
sin
2
(θ/2), dq = k cos(θ/2) dθ, dΩ = 2πqdq/k
2
and (with E
0
= β
2
/2m).
1. This is the differential 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 α particles when they were fired to a thin gold foil.
3. According to the Thomsons plum-pudding 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
¨
ODINGER EQUATION 245
6. It is impressive that Classical Mechanics and Quantum Mechanics produce the same
result!.
7. Notice that no cross section exists for the Coulomb case (σ →∞), due to the long range
of this potential.
8. For the Yukawa case the cross section is finite given than the range 1/β is finite.
9. Rutherford experiment is the basic principle used now in the analytic technique of the
‘Rutherford backscattering spectroscopy’ (RBS).
10. This technique is used to, for example detect heavy elements in semiconductors.
11. A more complete formula is the so called Mott cross section that takes into account the
possible spins (target and beam), magnetic moments and relativistic effects [?].
8.2.2 Form Factors
As it has been obtained
f(θ, φ) = −
m

_
dx

e
iq·x

V (x

) (8.14)
where the potential feel by the an scattered electron is given as V (x) = −eφ(x), with φ(x)
the electric potential produced by the distributed charge of the target. It obeys the Poisson
equation (´φ = −ρ/
0
), that can be written in terms of its fourier components
φ(q) =
ρ(q)

0
q
2
, φ(x) =
_
d
3
q
(2π)
3
e
−iq·x
φ(q) (8.15)
and similarly for ρ(x). Thus
f =
me

0
ρ(q)
q
2

mZe
2

0
F(q)
q
2
=
2mZα
q
2
F(q)
F(q) =
ρ(q)
Ze
=
1
Ze
_
d
3
xe
iq·x
ρ(x) (8.16)
where F is the Form Factor and Ze is the total charge of the target. The cross section is,
then
_

dΩ
_
=
_

dΩ
_
Ruth.
[F(q)[
2
(8.17)
246 CHAPTER 8. SCATTERING THEORY
Figure 8.2: Rutherford cross section experimental measurement.
8.2. INTEGRAL SCHR
¨
ODINGER EQUATION 247
Figure 8.3: Elastic proton Form factor
An example is the structureless nuclei with ρ = Zeδ
(3)
(x), so F(q) = 1 and the cross
section is the Rutherford’s one. The form factor is then equal to one for an structureless
particle. Naturally in the case experiments show that the form factor depends on the energy
the target, or the incoming particle or both have structure. Thus the form factor give us a
description of the structure of the target.
8.2.3 Range of validity of the Fermi’s Golden Rule
It can be said that f satisfy the integral equation, and it has an iterative solution of the form
f = F
0
+ f
1
+ f
2
+ , with f
n
∼ V
n
(f
0
= 0)
248 CHAPTER 8. SCATTERING THEORY
f(θ, φ) = −
m

_
d
3
x

e
−ik
f
·x

V (x

)
_
e
ik
i
·x

+
f(x

)
[x

[
e
ik
f
·x

_
f
1
= −
m

_
d
3
x

e
−iq·x

V (x

), f
2
=
_
m

_
2
_
d
3
x

V (x

)
[x

[
_
d
3
x

e
−iq·x

V (x

)
= −
m

__
d
3
x

V (x

)
[x

[
_
f
1
(8.18)
so the differential cross section can be expanded as

dΩ
· [f
1
[
2
+ 2Re (f
1
f

2
) (8.19)
and the Fermi’s 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
/2π, f
2
∼ (m/2π)
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

1
r
2

∂r
_
r
2

∂r
_
+
L
2
2µr
2
+ V (r)
_
ψ = Eψ
_
d
2
dr
2
+
2
r
d
dr

l(l + 1)
r
2
−2µV (r) + k
2
_
R
l
= 0 (8.21)
where k = 2µE, ψ =

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 −

2
+ δ
l
)
ψ(r →∞) =

l
C
l
kr
P
l
(θ) sin(kr −

2
+ δ
l
) = A
_
e
ikz
+ f(θ)
e
ikr
r
_
(8.22)
where the phase shifts or partial waves are δ
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 π −π
e
ikz
=

l≥0
(2l + 1)i
l
j
l
(kr)P
l
(cos θ) →

l≥0
(2l + 1)i
l
sin(kr −lπ/2)
kr
P
l
(cos θ) (8.23)
Comparing the two former expressions, for all the space one obtains
c
l
= A(2l + 1)i
l
e

l
, f(θ) =

l≥0
2l + 1
2ik
_
e
2iδ
l
−1
_
P
l
(cos θ)
σ =

k
2

l≥0
(2l + 1) sin
2

l
) =

l≥0
σ
l
, σ
l
=

k
2
(2l + 1) sin
2

l
) ≤

k
2
(2l + 1) (8.24)
where the last bound is the unitarity bound, to be valid for the l-th any partial wave,
independent of the potential. From this expansion one can show that
σ =

k
Im f(0) (8.25)
that is the Optical Theorem: The dispersion (σ) is equal to the absorbed (f(0)). See Jackson
p. 460 and Bransden?.
8.3.2 Calculation of δ
l
Given that
f(θ) · −
m

_
dx

e
iq·x

V (x

) =

l≥0
2l + 1
2ik
_
e
2iδ
l
−1
_
P
l
(cos θ) (8.26)
250 CHAPTER 8. SCATTERING THEORY
If the potential is central and doing the angular integrals
_
dx

e
iq·x

V (x

) = 2π
_

0
dr

(r

)
2
V (r

)
_
1
−1
d cos θ

e
iqr

cos θ

= −2πi
_

0
dr

r

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

l≥0
(2l + 1)j
l
(kr

)h
(1), (2)
l
(kr

)P
l
(cos θ)
e
iqr

−e
−iqr

q
= 2ir

l≥0
(2l + 1)[j
l
(kr

)]
2
P
l
(cos θ) (8.28)
and
f(θ) = 2m

l≥0
(2l + 1)P
l
(cos θ)
_

0
dr

(r

)
2
V (r

)[j
l
(kr

)]
2
=

l≥0
2l + 1
2ik
_
e
2iδ
l
−1
_
P
l
(cos θ)
e
2iδ
l
= 1 + 4imk
_

0
dr

(r

)
2
V (r

)[j
l
(kr

)]
2
δ
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 infinity 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 δ
l
j
l
(kr) −sin δ
l
n
l
(kr)] (8.31)
The boundary condition, on the surface is R
l
(ka) = 0 and
tan δ
l
=
j
l
(ka)
n
l
(ka)
(8.32)
and the total cross section is
σ =

k
2

l
(2l + 1) sin
2
δ
l
=

k
2

l
(2l + 1)
tan
2
δ
l
1 + tan
2
δ
l
=
4πa
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 first case
tan δ
l
→−
(ka)
2l+1
(2l + 1)!!(2l −1)!!
→−ka (8.34)
so the S-wave is dominant. The total cross section becomes (see Schiff 123)
σ =

k
2

l
(2l + 1) sin
2
δ
l
→4πa
2
(E →0) (8.35)
The high energy limit
σ =

k
2

l
(2l + 1) sin
2
δ
l


k
2
ka

l=0
(2l + 1) sin
2
(ka −lπ/2)


k
2
_
sin
2
x + 3 sin
2
(x −π/2) + + (2ka + 1) sin
2
(ka −kaπ/2)
¸
=

k
2
_
sin
2
x + (1 + 2) sin
2
(x −π/2) + (2 + 3) sin
2
(x −π/2)
+(ka + ka + 1) sin
2
(ka −kaπ/2)
¸


k
2
[1 + 2 + 3 + + ka] ·

k
2

(ka)
2
2
= 2πa
2
(8.36)
(see Bransden sec. 11.3 and Schiff 125, 343 and Sakurai Modern QM 409) that it doesn’t
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
→ α
2
= 2m(E + V
0
). The solution (finite at
the origin)
R
l
(r) = a
l
j
l
(αr)
R
l
(r) = b
l
j
l
(kr) + d
l
n
l
(kr) = c
l
[cos δ
l
j
l
(kr) −sin δ
l
n
l
(kr)] (8.39)
for r > a and r > a, respectively. Given the continuity of the logarithmic derivative one has
α
j

l
(αa)
j
l
(αa)
= k
cos δ
l
j

l
(ka) −sin δ
l
n

l
(ka)
cos δ
l
j
l
(ka) −sin δ
l
n
l
(ka)
(8.40)
Solving for the partial wave phases
tan δ
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
l−1
(x)j
l
(y) −yj
l−1
(y)j
l
(x)
xn
l−1
(x)j
l
(y) −yj
l−1
(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 p-waves one have
tan δ
0
=
x tan y −y tan x
x tan x tan y + y
tan δ
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 δ
l
→j
l
(ka)/n
l
(ka), as it
should be
3. For a very energetic incoming particle E →∞, x →y, tan δ
l
→0 and σ →0
4. For the soft sphere in the case E < V
0
α and y become complex.
5. Ramsauer effect (Schiff 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
defined as ξ = r + z, η = r −z and tan φ = y/x. The SE becomes
_
4
η + ξ
_

∂ξ
ξ

∂ξ
+

∂η
η

∂η
_
+
1
ξη

2
∂φ
2
+ 2m(E −V )
_
ψ = 0 (8.43)
giving that V = 2Zα/(ξ + η) one obtains (no considering the angular dependence)
_
4
η + ξ
_

∂ξ
ξ

∂ξ
+

∂η
η

∂η
_
+ k
2
+
4kλ
ξ + η
_
ψ = 0 (8.44)
with k
2
= 2mE and λ = −Zαm/k. Taking ψ = f(ξ)g(η) the equation becomes
1
f

∂ξ
ξ

∂ξ
f +
k
2
4
ξ = c
1
1
g

∂η
η

∂η
f +
k
2
4
η = c
2
(8.45)
with c
1
+ c
2
= −kλ. With f = exp[ikξ/2] it is find that c
1
= ik/2 and therefore c
2
=
−k(λ + 1/2). For the other equation one can take g = hexp[−ikη/2] and h has to satisfy the
equation
η
¨
h + (1 −ikη)
˙
h + kλh = 0
x
d
2
dx
2
h + (1 −x)
d
dx
h −iλh = 0 (8.46)
with x = ikη and h = F(iλ, 1, ikη). Thus the complete wave function becomes ψ =
F(iλ, 1, ikη) exp[ikz]
254 CHAPTER 8. SCATTERING THEORY
8.5 Resonances
8.5.1 Resonances 1-D
8.5.2 Resonances: case of finite well
Ramsauer effect.
8.5.3 Breit-Wigner parametrization
8.6 Spin effects. Identical particles
Interchange potential
8.7 Inelasticity
8.7.1 Optical Theorem
Complex potentials (schift p. 129)
8.8 S-Matrix properties
S-Matriz

S. Properties: Unitarity, Analiticity. Dispersion relations. Jost Function. Bounded
states.
8.9 Lippman-Schwinger Equation
8.10 Approximate Methods
Semiclasical treatment (Sakurai p. 342)
Coulomb+ modified Coulomb.
8.11. SCATTERING EXERCISES 255
8.11 Scattering Exercises
8.11.1 Born’s Approximation Exercises
1. Get the cross section for the perfect sphere, by using Classical Mechanics.
2. Get the Rutherford cross section, by using Classical Mechanics.
3. For the potential (V
0
> 0, for the soft sphere. V
0
> 0, for the finite depth).
V (r) =
_
V
0
, if r < a
0 otherwise.
(a) Get the differential cross section. Sketch it
(b) Get the total cross section.
4. For the potential
V (r) = V
0
exp (−r/a)
r
with a · 1/m
π
and V
0
· 1. Plot the total cross section.
5. For the potential
V (r) =

2
2
(r −a)
2
_
1, if r < a
0, otherwise.
get the differential cross section.
6. For the potential V (x) = Cδ
(3)
(x −a) compute the differential cross section.
7. Calculate the Differential Cross section for the potential
V (x) = cδ(y)δ(z) [δ(x −a) −δ(x + a)]
8. Calculate the differential Cross Section for the charge density, in the target given by
ρ(x) = e
1
δ
(3)
(x −a) + e
2
δ
(3)
(x +a). Comment the
case e
2
= −e
1
.
9. Calculate the differential cross section for an alpha particle hitting and hydrogenic atom.
Hint: first compute the Form Factor.
256 CHAPTER 8. SCATTERING THEORY
8.11.2 Partial Wave Phases, Exercises
10. Estimate the partial wave δ
0
(E → 0) for: a) the finite well/sphere, V (r) = ∓V
0
, b) the
‘soft’ sphere, V (r) = mω
2
(r − a)
2
when r < a otherwise V = 0 and c) for the Yukawa
potential V = V
0
e
−βr
/r .
δ
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
σ · 8πa
2
m(V
0
a)
2
E

l≥0
(2l + 1)
(ka)
4l+2
[(2l + 1)!!]
4
(8.47)
For b)
σ · 32πa
2
(mωa
2
)
4

l≥0
(2l + 1)(ka)
4l
[(2l + 1)!!]
4
(2l + 3)
2
(2l + 4)
2
(2l + 5)
2
(8.48)
and c)
δ
l
· 2mβV
0
(βk)
2l+1
[(2l + 1)!!]
2
σ · 4π
_
2mβV
0
k
_
2

l≥0
(2l + 1)
(βk)
2l+2
[(2l + 1)!!]
4
(8.49)
11. Compute the Differential Cross Section for the potential
V (r) =
_
Cr
4
, if r < a
0 otherwise.
12. If the differential cross section is expanded as

dΩ
= A + BP
1
+ CP
2
+
find the values of the constants A, B, C, as function of the partial waves phases δ
l
13. What are the advantages and disadvantages of the methods: a) Green’s functions and b)
partial waves.
14. Can you give a simple argument why δ
l
< δ
l

<l
?
8.11. SCATTERING EXERCISES 257
8.11.3 Exact solutions, Resonances and Inelasticity Exercises
15. Compute, using the Classical Physics the differential and the total cross section for the
perfect sphere.
16. What is a resonance, and what conditions must be satisfied in order to have one?.
17. What are the physical meaning of the parameters in the Breit-Wigner description of the
resonances: Γ
2
/
_
(E −m
R
)
2
+ Γ
2
¸
18. a) What are the physical meaning of the parameters in the Breit-Wigner description of
the resonances:
σ =
Γ
2
(E −E
R
)
2
+ Γ
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(δ
l
), with l = 0, 1, 2 for the case of the finite well
and the soft sphere.
(b) Plot tan(δ
l
) (the first l-s)for the case of the finite well. Do you find 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 δ
0
(E →0) y δ
1
(E →0) para: a) el pozo de potencial finito,
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 δ
l
para un pozo de potencial de profundidad −V
0
(b) Haga un bosquejo de δ
l=0
el caso del pozo anterior y de una esfera ‘semir´ıgida’.
(c) Halle (dσ/dΩ) [
E→0
usando ondas parciales y la aproximacion de Born. Compare.
23. Brevemente:
(a) What is the meaning of differential 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 eficaces diferencial y total para los potenciales: V (x) = cδ
(3)
(x −a), y
para el caso b) V (x) = cδ(x −a)δ(y)δ(z).
25. Que es una resonancia?, a que se debe?, como sabemos que tenemos resonancia?.
258 CHAPTER 8. SCATTERING THEORY
26. (a) Calcule δ
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 ‘semir´ıgida,
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 eficaz diferencial para una densidad de carga, en el blanco de ρ(x) =
e
1
δ
(3)
(x −a) + e
2
δ
(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?), SLAC-PUB-5724, Apr.
1992.
R. Wilson, Form Factors of Elementary Particles, Phys. Tod. Jan.-69, 47 (1969).
M. Jacob and P. Landshoff, 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
α
−1
= 137.035, λ
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
µ
= 105.7 MeV, m
π
= 139.6 MeV
µ
B
= e/2m
e
= 5.8 10
−5
eV/T = 9.3 10
−24
J/T, µ
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, α = 1/4π
0
= µ
0
/4π, [F] = [E] = [B] = eV
2
(A.1)
kind ν [hz] λ [m] E [eV] kind ν [10
14
hz] λ [10
−7
m]
radio 5 10
5
−1.6 10
8
0.2 −700 (0.01 −7) 10
−6
red 3.84-4.82 6.22-7.8
MW 10
9
−10
12
1 −10
−3
10
−5
−0.001 orange 4.82-5.03 5.97-6.22
IR 3 10
11
−4 10
14
10
−3
−10
−6
0.001 −1.65 yellow 5.03-5.2 5.77-5.97
visible (4 −7.5)10
14
(0.4 −0.8) 10
−6
1.65 −3.1 green 5.2-6.1 4.92-5.77
UV (0.8 −30) 10
15
4 10
−7
−10
−8
3.1-124 blue 6.1-6.59 4.55-4.92
r. X 3 10
16
−3 10
19
10
−8
−10
−11
124 −10
6
violet 6.59-7.69 3.9-4.55
r. γ > 10
20
< 10
−12
> 10
6
261
262 APPENDIX A. CONSTANTS AND FORMULAE
A.2 Useful formulae 1-D
m
2
< v
2
> =
3
2
k
B
T,
∂ρ
∂t
= −∇ J, ρ = [ψ[
2
, J =
i
2m
[ψ∇ψ

−ψ

∇ψ] =
1
m
Im[ψ

∇ψ], [x
i
, p
j
] = iδ
ij
p = k = −i∇, E = p
2
/2m = ω, k = 2π/λ, λ =
2πc

E
2
−m
2
c
4
J
I
= ([A[
2
−[B[
2
)
k
m
, T = ma
2
ψ
n
=
_
2
a
sin
_
nπx
a
_
E
n
=
n
2
π
2
2ma
2
ψ
n
= N
n
e
−ξ
2
/2
H
n
(ξ), E
n
= (n + 1/2)ω, [N
n
[
2
= α/2
n

π n!, ξ = αx, α
2
= mω
2xH
n
(x) = H
n+1
(x) + 2nH
n−1
(x), H

n
(x) = 2nH
n−1
(x),
_

−∞
dx e
−x
2
H
n
(x)H
m
(x) = 2
n
n!

πδnm (A.2)
x
n,l
=
1

2 α
_

l + 1δ
n,l+1
+


n,l−1
_
, p
n,l
=


2
_

l + 1δ
n,l+1



n,l−1
_
x
2
n,l
=
1

2
_
_
(l + 1)(l + 2)δ
n,l+2
+ (2l + 1)δ
n,l
+
_
l(l −1)δ
n,l−2
_
p
2
n,l
= −
α
2
2
_
_
(l + 1)(l + 2)δ
n,l+2
−(2l + 1)δ
n,l
+
_
l(l −1)δ
n,l−2
_
, x
3
nn
= p
3
nn
= 0
x
4
nn
=
3

4
_
n(n + 1) +
1
2
_
, p
4
nn
=

4
2
_
n(n + 1) +
1
2
_
(A.3)
A.3 Useful formulae 3-D
E
T
= E
CM
+ E
rel.
, 2 < K >=< r ∇V (r) >
ψ =
_
8
V
sin
_
n
1
πx
a
_
sin
_
n
2
πy
b
_
sin
_
n
3
πz
c
_
, E
n
1
n
2
n
3
=
1
2m
_
_
n
1
π
a
_
2
+
_
n
2
π
b
_
2
+
_
n
3
π
c
_
2
_
ψ(x) =
_
α
1
α
2
α
3
2
n
1
+n
2
+n
3
n
1
!n
2
!n
3

3/2
exp[−(ξ
2
1
+ ξ
2
2
+ ξ
2
3
)/2]H
n

1
)H
n

2
)H
n

3
)
E = (n
1
+ 1/2)ω
1
+ (n
2
+ 1/2)ω
2
+ (n
3
+ 1/2)ω
3
, E
n
= (n + 1/2)Ω +
k
2
f
2m
, Ω =
eB
m
(A.4)
ψ
klm
=
_
2
π
kj
l
(kr)Y
lm
(θ, φ), E = k
2
/2µ
R
nl
= A
nl
j
l
(x
nl
r/a)Y
lm
(θ, φ),
1
[A
nl
[
2
=
a
3
2
[j
l+1
(x
nl
)]
2
, E
nl
=
x
2
nl
2µa
2
, (j
l
(x
nl
) = 0; x
ns
= nπ, x
np
= 4.5, 7.7)
E
nl
= V
0

2
nl
/c
2
−1) (A.5)
A.4. FORMALISM FORMULAE 263
ψ
nlm
= N
nl
e
−ρ
2
/2
ρ
l
F
_
−n,
2l + 3
2
, ρ
2
_
Y
lm
, E
n,l,m
= (2n + l + 3/2)ω
[N
nl
[
2
= 2(µω)
3/2
Γ(n + l + 3/2)
Γ(n + 1)Γ
2
(l + 3/2)
(A.6)
ψ
nlm
= N
nl
e
−ρ/2
ρ
l
L
2l+1
n−l−1
(ρ)Y
lm
, [N
nl
[
2
=
(n −l −1)!
(n + l)!
4
n
4
a
3
, E
n
= −(µ/2) (Zα/n)
2
a =
1
Zαµ
=
a
µ
Z
, a
B
= 0.53 10
−8
cm, [ψ
Coul.
nlm
(r = 0)[
2
=
1
π
_
1
na
_
3
, v
rms
=

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
µ
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
ψ
n
(x)

ψ
n
(y) = δ(x −y)
a =
α

2
_
x +
ip
α
2
_
, a

=
α

2
_
x −
ip
α
2
_
, [a, a

] = 1, α
2
= mω
a

[n >=

n + 1[n + 1 >, a[n >=

n[n −1 >
∆f∆g ≥
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 ] >
[ψ(t) >
H
= exp[itH][ψ(t) >
S
, f
H
= exp[itH]f
S
exp[−itH]
[ψ(t) >
I
= exp[itH
0
][ψ(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

+ J
2
z
∓J
z
= (J

J
+
+ J
+
J

)/2 + J
2
z
J
±
[jm >=
_
(j ∓m)(j ±m + 1)[l, m±1 >==
_
j(j + 1) −m(m±1)[l, m±1 >, J
±
= J
x
±iJ
y
Y
lm
=
_
2l + 1

(l −m)!
(l + m)!
_
1/2
(−1)
m
e
imφ
P
m
l
(cos θ), Y
00
=
1


; Y
10
=
_
3

cos θ, Y
1±1
= ∓
_
3

e
±iφ
sin θ
dΩ = dφdx,
_
dΩY

lm
Y
l

m
= δ
ll
δ
mm
, E
l
=
l(l + 1)
2I
, E = −gµ
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
_
σ
1
=
_
0 1
1 0
_
, σ
2
=
_
0 −i
i 0
_
, σ
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 −δ
nl
], E
(2)
n
=

m=n
[H

nm
[
2
E
(0)
n
−E
(0)
m
,

m
_
H

lm
−δ
lm
E
(1)
n
_
C
(0)
nm
= 0
C
(1)
nl
=
1 −δ
nl
E
(0)
n
−E
(0)
l

m∈n
H

lm
C
(0)
nm
, i ˙ c
n
(t) =

m
e
iωnmt
H

nm
(t)c
m
, H

nm
(t) =< n[H

(t)[m >
_
b
a
pdx = (n + 1/2)π, p =
_
2m(E −V ), ψ
WKB
(x) ·
C

p
exp
_
±i
_
p dx
_
, p =
_
2m(E −V ) (A.10)
A.7 Matter
∆E = −E
n
_

n
_
2
_
3
4

n
J + 1/2
_
, K =
_
p
2
+ m
2
−m
E
nJ
= m
_
1 + (Zα)
2
/
_
n −J −1/2 +
_
(J + 1/2)
2
−(Zα)
2
¸
1/2
_
2
_
−1/2
−m
∆E =
g
I
2
µ
3
mM
α
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 = µ
B
gm
J
B, ∆E = µ
B
(m
l
+ 2m
s
)B, H

= ecz
∆E =
m
e
α(Zα)
4
4n
3

_
k(n, 0), l = 0
k(n, l) ±1/π(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
=

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

dΩ
=
α

ω
3
ba
[ r
ba
[
2
, Γ =

3
ω
3
ba
[r
ba
[
2
, x
n,n−1
= x
n−1,n
=
_
n
2mω
< 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
, ˆ
1
= (−c
θ
c
φ
, −c
θ
s
φ
, s
θ
), ˆ
2
= (−s
φ
, c
φ
, 0) (A.12)
A.9 Scattering

dΩ

dP
f
/dΩdt
dP
i
/dAdt
=
r
2
[J
out
[
[J
in
[
= [f[
2
[k
f
[
[k
i
[
, f(q) = −
m

_
d
3
x e
iq·x
V (x), q = k
fin.
−k
in.
_

dΩ
_
Ruth.
=
_
2mZα
q
2
_
2
=
(Zα)
2
16E
2
sin
4
(θ/2)
, σ
Yukawa
= 4π
_
2mZα
β
_
2
1
4k
2
+ β
2
, q
2
= 4k
2
sin
2
(
θ
2
)

dΩ
=
_

dΩ
_
Ruth.
¸
¸
F(q
2
)
¸
¸
2
, F(q) =
ρ(q)
Ze
, barn = 10
−24
cm
2
f(θ) =

l
2l + 1
2ik
_
e
2iδ
l
−1
_
P
l
(cos(θ)), σ =

k
2

l
(2l + 1) sin
2

l
)
R
l

C
l
kr
sin(kr −

2
+ δ
l
), δ
l
·
2mk
2l+1
[(2l + 1)!!]
2
_

0
drr
2(l+1)
V (r), tan δ
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
_
π
a
,
_

0
dx x
2
e
−ax
2
=
1
4a
_
π
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
n−k
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) ± π/2 and
tan(x + nπ) = 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(2θ) =
B
A−C
. If I = 0 it is a parabola, if I < 0 is an ellipse and
if I > 0 is a hyperbola. [AB, C] = A¦C, 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 = Π
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, θ, φ) 1 r r sin θ u
r
u
θ
u
φ
(ρ, φ, z) 1 ρ 1 u
ρ
u
θ
u
z
Table: Curvilinear coordinates.

2
=
1
r
2

∂r
r
2

∂r
+
1
r
2
sin θ

∂θ
sin θ

∂θ
+
1
r
2
sin
2
θ

2
∂φ
2
=
1
r
2

∂r
r
2

∂r

1
r
2
L
2
=

2
∂ρ
2
+
1
ρ

∂ρ
+
1
ρ
2

2
∂φ
2
+

2
∂z
2
(B.6)
B.1. BASIC MATH 269
B.1.5 Dirac’s delta
δ (f(x)) =

i
δ(x −x
i
)
[f

(x
i
)[
, δ(x) = θ

(x)
_
f(x)δ

(x −a)dx = −f

(a), xδ

(x) = −δ(x)
δ
(n)
(x −x

) =
1
[J[
Π
n
i=1
δ(ξ
i
−ξ

i
)
δ
(3)
(x −x

) =
δ(r −r

)
r
2
δ
(2)
(Ω−Ω

) =
δ(r −r

)
r
2
δ(θ −θ

)δ(φ −φ

)
sin θ
=
δ(r −r

)
r
2
δ(t −t

)δ(φ −φ

)
=
δ(ρ −ρ

)
ρ
δ(z −z

)δ(φ −φ

) (B.7)
where [J[ = Π
n
i=1
h
i
(Morse Feshbach). Several representations are (Liboff [1] and Byron
and Fuller in [QM formalism])
δ(x) =
1

_

−∞
dk e
ikx
=
1
π
_

0
dk cos(kx)
δ(x) =
1

−∞
e
inx
=
1

_
1 + 2

n=1
cos(nx)
_
δ(x) = lim
a→0
1
a

π
exp[−x
2
/a
2
] =
1
π
lim
a→∞
sin(ax)
x
=
1
π
lim
a→∞
1 −cos(ax)
ax
2
δ(x) =
2
π
lim
a→∞
sin
2
(ax/2)
ax
2
= lim
a→0
1
π
a
x
2
+ a
2
=
1
π
lim
a→0
Im
1
x −ia
δ(x) = lim
n→∞
(2n + 1)!
2
2n+1
(n!)
2
(1 −x
2
)
n
θ(1 −x) (B.8)
B.1.6 Complex Analysis
The Cauchy’s Theorem is given as [4]
_
Γ
f(z)dz = 2πi

res.
n(Γ, z
i
)resf(z
i
)
res.f(z
i
) =
1
(m−1)!
lim
z→z
i
d
m−1
dz
m−1
[(z −z
i
)f(z)]
_
C
f(z)dz
(z −ζ)
n
=
2πi
(n −1)!
f
(n−1)
(ζ) (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 =
Γ(n + 1)
a
n+1
=
n!
a
n+1
,
_

−∞
x
2n
e
−ax
2
dx =
(2n −1)!!
(2a)
n
_
π
a
_

−∞
e
−ax
2
+bx
dx =
_
π
a
e
b
2
/4a
,
_

−∞
x
n
e
−ax
2
+bx
dx =
_
π
a
d
n
db
n
e
b
2
/4a
_

−∞
xe
−ax
2
+bx
dx =
_
π
a
b
2a
e
b
2
/4a
,
_

−∞
x
2
e
−ax
2
+bx
dx =
_
π
a
1
2a
_
1 +
b
2
2a
_
e
b
2
/4a
_

0
e
−x
2
/4a−bx
dx =

πae
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

a

ax
2
+ bx + c
_
, if a > 0
1

−a
sin
−1
_
−2ax−b

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

4ac−b
2
tan
−1
_
2ax+b

4ac−b
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 +

4ac−b
2
a
tan
−1
_
2ax+b

4ac−b
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 four-vector A
µ
= (A
0
, A) transforms under the Lorentz transformations (with v the relative
velocity along the x-axis, and in natural units c = 1)
A
0
= γ(A

0
+ vA

1
) = A

0
cosh ξ + A

1
sinh ξ, A
2
= A

2
, A
3
= A

3
A
1
= γ(A

1
+ vA

0
) = A

1
cosh ξ + A

0
sinh ξ
x = x

+
_
x

v
v
2
(γ −1) + γt

_
v, t = γ (t

+v x

) (B.13)
with γ = 1/

1 −v
2
, cosh ξ = γ, sinh ξ = γv (so tanh ξ = v ≤ 1) and given that cosh
2
ξ −
sinh
2
ξ = 1. In particular the norm, and the inner (or dot) product between two four-vectors
are invariant.
[A[
2
=
_
A
0
_
2
−A
2
= A
µ
g
µν
A
ν
= A
µ
A
µ
, A
µ
≡ g
µν
A
ν
= (A
0
, −A) (B.14)
is invariant with (A
µ
and A
µ
are the covariant and contravariant components)
g
µν
= diag.(1, −1, −1, −1), g
µν
g
νµ

≡ g
µ

µ
= δ
µ

µ
, g
µν
= g
µν
(B.15)
Examples of four-vectors are
x
µ
= (t, x), s
2
= t
2
−(x)
2
, u
µ

dx
µ

= γ
u
(1, u), a
µ

d
2
x
µ
d
2
τ
= γ
4
u
_
a u, (a u)u +
a
γ
2
u
_
p
µ
= mv
µ
= mγ(1, v) = (E, p) = i∂
µ
= i

∂x
µ
= i
_

∂t
, −∇
_
, ∂
µ


∂x
µ
=
_

∂t
, ∇
_

µ
x
ν
= g
µ
ν
=
∂x
ν
∂x
µ
= δ
µν
, F
µ
= ma
µ
= γ
u
(F u, F) = γ
u
(P, F), k
µ
= (ω, k),
F =
dp
dt
= mγ
3
u
(a u)u + mγ
u
a = mγ
3
u
a

+ mγ
u
a

, a

=
a u
u
2
u, a

= a −a

J
µ
= (ρ, J), A
µ
= (φ, A), γ
µ
= (γ
0
, γ
i
) (B.16)
with dt = γdτ, been τ the proper time. Several norms are p
µ
p
µ
= E
2
−p
2
= m
2
v
µ
v
µ
= 1.
Velocities are added as
u
x
=
u

x
+ v
1 + u

x
v
, u
y
=
u

y
γ(1 + u

x
v)
, γ
u
= γγ
u
(1 + u

x
v) (B.17)
In general Lorentz transformations can be written as x
µ
= Λ
µ
ν
x

ν
. In the special case of v
going along the x-axis
272 APPENDIX B. MATH
Λ
µ
ν
=
_
_
_
_
γ γv 0 0
γv γ 0 0
0 0 1 0
0 0 0 1
_
_
_
_
, Λ
µν
= g
µµ
Λ
µ

ν, (B.18)
Given that the norm has to be invariant one has that
g
µν
x
µ
x
ν
= g
µν
_
Λ
µ
µ

x

µ

__
Λ
ν
ν
x

ν

_
= g
µν
x

µ
x

ν
(B.19)
and Λ
µ
α
g
µν
Λ
ν
β
= Λ
µ
α
Λ
µβ
=
_
Λ
T
_
µ
α
Λ
µβ
= g
αβ
, so (det.Λ)
2
= 1 and det.Λ = ±1. They
correspond to the proper and improper Lorentz group.
Similarly tensors are defined as the quantities T
µν···
αβγ···
transforming under the multiple
Lorentz transformation
T
µν···
αβγ···
= Λ
µ

µ
Λ
ν

ν
Λ
α
α
Λ
β
β

Λ
γ
γ

(T

)
µ

ν

···
α

β

γ

···
(B.20)
The Electromagnetic tensor and its dual (E = −∇A
0
−∂A/∂t and B = ∇∧ A)
F
µν
= ∂
µ
A
ν
−∂
ν
A
µ
=
_
¸
¸
_
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
µν
= −
1
2

µναβ∗
F
αβ

F
µν
=
1
2

µναβ
F
αβ
=
_
¸
¸
_
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
µν
F
µν
= −

F
µν∗
F
µν
= −2(

E
2


B
2
), F
µν∗
F
νρ
= g
µ
ρ

E

B (B.22)
The Maxwell equations (in homogenous and homogenous) and the Lorentz force are

µ
F
µν
= µ
0
J
ν
, ∂

µ
F
µν
= ∂
α
F
µν
+ ∂
µ
F
να
+ ∂
ν
F
αµ
= 0,
dp
µ

= eF
µν
u
ν
(B.23)
The Pauli matrices have the following properties:
σ
i
σ
j
= δ
ij
+ i
ijk
σ
k
, σ a σ b = a b + iσ (a ∧ b)
σ
1
=
_
0 1
1 0
_
, σ
2
=
_
0 −i
i 0
_
, σ
3
=
_
1 0
0 −1
_
(B.24)
B.3. SPECIAL FUNCTIONS 273

i
, σ
j
] = 2i
ijk
σ
k
, ¦σ
i
, σ
j
¦ = 2δ
ij
, σσ = 2iσ, they are traceless and trσ
i
σ
j
= 2δ
ij
.
The totally antisymmetric tensor satisfy

µναβ

µ

ν

α

β

= −g
µµ

g
νν

g
αα

g
ββ

+ g
µµ

g
νν

g
αβ

g
βα

−g
µµ

g
νβ

g
αν

g
βα

+ = −det(g
σσ

)

µναβ

µ

ν

α

β
= −g
µµ

g
νν

g
αα

+ g
µµ

g
να

g
αν

−g
µα

g
νµ

g
αν

+ g
µα

g
νν

g
αµ

+ = −det(g
σσ

)

µναβ

µ

ν

αβ
= −2
_
g
µµ

g
νν

−g
µν

g
νµ

_
,
µναβ

µ

ναβ
= −6g
µµ

,
µναβ

µναβ
= −4! = −24 (B.25)
where in the first case σ = µ, ν, α and β (to form a 4 4 determinant), in the second case
σ = µ, ν and α (to form a 3 3 determinant), and similarly for σ

. The 3D version is

ijk

lmk
= δ
il
δ
jm
−δ
im
δ
jl
,
ikl

ikm
= 2δ
lm
,
ikl

ikl
= 3! (B.26)
B.3 Special Functions
B.3.1 Bessel functions
Bessel functions are the solutions (J
ν
(x): Bessel function of first kind and N
ν
(x) = Y
ν
(x):
Bessel function of second kind, Weber or Neumann function) to the Bessel equation
J

ν
(r) +
1
r
J

ν
(x) +
_
1 −
ν
2
ρ
2
_
J
ν
(x) = 0 (B.27)
From them one can define Hankel functions of first and second kind (or Bessel functions
of third kind) as H
(1,2)
ν
(x) ≡ J
ν
(x) ± iN
ν
(x). At infinite they behave as H
(1,2)
ν
(x → ∞) =
_
2/πx exp[±ix]. When the argument is pure complex one can use the modified Bessel func-
tions of first and second class defined as
I
ν
(x) ≡ i
−ν
J
ν
(ix), K
ν
(x) ≡
π
2
i
ν+1
H
(1)
ν
(ix) (B.28)
at x = 0 I
ν
(sometimes called hyperbolic Bessel function) is regular while K
ν
is not. At
infinity the behavior is
I
ν
(x) →
cos(x)
x
, K
ν
(x) →e
−x
(B.29)
The Wroskian is I
n
(x)K
n
(x)

− K
n
(x)I
n
(x)

= −1/x (see Arfken Sturm-Liuville theory,
Arfken 610, Jackson 86, Mathematica 746, Gradshteyn 960). Kelvin functions are defined as
ber
n
(z) + iber
n
(z) = e
inπ
J
n
_
ze
−iπ/4
_
(B.30)
274 APPENDIX B. MATH
The generatriz function is
e
x(t−1/t)/2
=

n=−∞
J
n
(x)t
n
(B.31)
Recurrence relations and orthogonality conditios are
J
n+1
(x) =
2n
x
J
n
(x) −J
n−1
(x), J

n
(x) =
1
2
(J
n−1
(x) −J
n+1
(x))
xJ

n
(x) = nJ
n
(x) −xJ
n+1
(x),
_

0
dρρJ
ν
(αρ)J
ν

ρ) =
1
α
δ(α −α

)
_
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) =
_
π/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 first 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 defined 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
l−1
, z

l
=
1
2l + 1
[lz
l−1
−(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
δ
pq
Arfken 628
_
a
0
dr rJ
ν

νl
r/a)j
ν
(x
νk
r/a) =
a
3
2
[J
ν+1
(x
νp
)]
2
δ
lk
Arfken 628
_

0
dρρJ
ν
(αρ)J
ν

ρ) =
1
α
δ(α −α

) (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 −lπ/2)
x
n
l
→−
(2l−1)!!
x
l+1
_
1 −
x
2
2(1−2l)
+
_
n
l
→−
cos(x −lπ/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)
1−c
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
_
m−n, m + n + 1, m + 1 ;
1 −x
2
_
(B.38)
B.3.4 Confluent Hypergeometric functions
Confluent Hypergeometric, or Kummer’s functions (Arfken p. 753, Abramowitz chap. 13, p.
503, Gradshteyn 1084 [4]), M(a, c, x) = F(a, c, x) = Φ(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
1−c
M(a + 1 −c, 2 −c; x), c ,= 2, 3, 4 Second solution
U(a, c; x) =
π
sin(πc)
_
M(a, c; x)
(a −c)!(c −1)!

x
1−c
M(a + 1 −c, 2 −c; x)
(a −1)!(1 −c)!
_
(B.39)
Its asymptotic behavior is for x →∞
M(a, c; x) →
Γ(c)
Γ(a)
e
x
x
c−a
_
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


(x) −
_
1
4
+
k
x
+
1/4 −µ
2
x
2
_
M

(x) = 0
M

(x) = e
−x/2
x
µ+1/2
M(µ −k + 1/2, 2µ + 1; x)
W

(x) = e
−x/2
x
µ+1/2
U(µ −k + 1/2, 2µ + 1; x) (B.42)
several particular cases and relations with other functions are (H
m
= H
µ=0
m
) [4]
H
µ
2n
(η) = (−1)
n
(2n)!
n!
M(−n; µ + 1/2, η
2
), H
µ
2n+1
(η) = (−1)
n
(2n + 1)!
n!(µ + 1/2)
ηM(−n; µ + 3/2, η
2
)
L
n
(x) = M(−n, 1; x)
L
m
n
(x) = (−1)
m
d
m
dx
m
L
n+m
(x) =
Γ(n + m + 1)
Γ(n + 1)Γ(m + 1)
M(−n, m+ 1; x)
erf(x) =
_
2x/

π
_
M(1/2, 3/2, −x
2
), C(z) + iS(z) = zM(1/2, 3/2, ıπz
2
/2) (B.43)
where H
µ
m
are the associate or generalized Hermite polynomials.
B.3.5 Airy Function
It can be defined by the differential equation
Φ

−xΦ = 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 Φ = t
1/3
Z
1/3
(t). Other properties are
Φ(z) =
1

π
_

0
dt cos(t
3
/3 + zt)
Φ(z) =
1
3
_
π[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
Φ(z) →
1
2[z[
1/4
_
exp[−2z
3/2
/3)] for z →∞
2 sin[2[z[
3/2
/3 + π/4] for z →−∞
_

0
ψ(ξ)ψ(ξ

)dx = δ(E

−E) (B.45)
B.3. SPECIAL FUNCTIONS 277
Its roots, Φ(−x
n
) = 0 can be approximated by the formula x
n
= [3(n − 1/4)π/2]
2/3
[3].
The roots of its first derivative, Φ

(−y
n
) = 0 can be approximated by the formula y
n
= [3(n +
1/2)π/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 first derivative [3].
B.3.6 Γ(z) and B(x, y) functions
These functions are defined as (Arfken 539)
Γ(z) = (z −1)! =
Γ(z + 1)
z
=
_

0
t
z−1
e
−t
dt, Re(z) > 0, B(x, y) =
Γ(x)Γ(y)
Γ(x + y)
(B.46)
Several Series are asymptotic behavior
ln(z!) =
1
2
ln 2π +
_
z −
1
2
_
ln z −z +
B
2
2z
+
B
2n
2n(2n −1)z
2n+1
z! =

2π z
z+1/2
e
−z
_
1 +
1
12z
+
1
288z
3
+
_
B(x >> y, y) = Γ(y)x
−y
(B.47)
B.3.7 Polylogarithmic functions
The Polylogarithmic functions (or Spence functions) are defined as [4]
Li
2
(z) ≡
_
0
z
dt
log(1 −t)
t
= −
_
1
0
dt
log(1 −zt)
t
=
_
−log(1−z)
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) = π
2
/6, Li
2
(−1) = −π
2
/12, Li
2
(1/2) = π
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) = −
π
2
6

1
2
log
2
(−z)
Li
2
(z) + Li
2
(1 −z) =
π
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 Abel’s equation and the one before it is the Landen’s functional equation.
B.3.8 Error, Fresnel and related functions
They are defined as (Abramowitz 295):
Erf(x) = Φ(x) =
2

π
_
x
0
e
−t
2
dt, Erfc(x) = 1 −Erf(x)
C(x) = C
1
(
_
π/2 x) =
_
x
0
cos(
_
π/2 t
2
) dt,
S(x) = S
1
(
_
π/2 x) =
_
x
0
sin(
_
π/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
π
n−1

k=0
(−1)
k
Γ(k + 1/2)
x
2k+1
+
e
−x
2
π
R
n
(B.51)
with [R
n
[ < Γ(n + 1/2)/[x[
2n+1
cos(φ/2)and φ < π 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
δ
nm
(2n + 1)xP
n
(x) = (n + 1)P
n+1
(x) + nP
n−1
(x)
(1 −x
2
)P

n
(x) = nP
n−1
(x) −nxP
n
(x)
(2l + 1)P
l
= P

l+1
−P

l−1
, (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
δ(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 defined 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
n−1
(x) −
2n −5
3 (n −1)
P
n−3
(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 define 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 +
_
ν(ν + 1) −
µ
2
1 −z
2
_
y = 0 (B.58)
The general solution can be written as y = AP
µ
ν
(z) + BQ
µ
ν
(z) with
P
µ
ν
(z) =
1
Γ(1 −µ)
_
z + 1
z −1
_
µ/2
F
_
−ν, ν + 1, 1 −µ,
1
2
(1 −z)
_
Q
µ
ν
(z) = e
iµπ

π
2
ν+1
Γ(ν + µ + 1)
Γ(ν + 3/2)
(z
2
−1)
µ/2
z
ν+µ+1
_
z + 1
z −1
_
µ/2
F
_
1 +
ν + µ
2
,
1 + ν + µ
2
, ν +
3
2
,
1
z
2
_
(B.59)
If one has the boundary condition of finiteness at z = ±1 the solution is then P
m
l
(z), with
B = 0, ν = l = 0, 1, 2, . If besides (from uniqueness of the wavefunctions) µ = 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
l−m
(x
2
−1)
l
dx
l−m
(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) =

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)!
δ
mm
(B.60)
B.4. POLYNOMIALS 281
Merzbacher p. 387-9 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
m−1
l
(2l + 1)xP
m
l
= (l + m)P
m
l−1
+ (l −m + 1)P
m
l+1
(2l + 1)

1 −x
2
P
m
l
= P
m+1
l+1
−P
m+1
l−1
= (l + m)(l + m−1)P
m−1
l−1
−(l −m + 1)(l −m + 2)P
m−1
l+1
2

1 −x
2
P

m
l
= P
m+1
l
−(l + m)(l −m + 1)P
m−1
l
(B.61)
Special values
P
µ
ν
(0) =
2
µ

π
cos
_
π
2
(ν + µ)
_
Γ((1 + ν + µ)/2)
Γ(1 + (ν −µ)/2)
Q
µ
ν
(0) = −
2
µ−1

π
sin
_
π
2
(ν + µ)
_
Γ((1 + ν + µ)/2)
Γ(1 + (ν −µ)/2)
(B.62)
Q
m
ν
(z) = (z
2
−1)
m/2
d
m
Q
ν
(x)
dx
m
W [P
µ
ν
, Q
µ
ν
]
z=0
= 2

Γ(1 + (ν + µ)/2)Γ((1 + ν + µ)/2)
Γ(1 + (ν −µ)/2)Γ((1 + ν −µ)/2)
(B.63)
B.4.2 Spherical harmonics and Angular Momenta
Spherical Harmonics and Angular Momenta
L
z
= −i

∂φ
, L
±
= L
x
±iL
y
= e
±iφ
_
±

∂θ
+ i cot θ

∂φ
_
−L
2
=
1
sin
2
θ

2
∂φ
2
+
1
sin θ

∂θ
sin θ

∂θ
= −
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, m±1 >
_
dΩ Y

lm
(ˆ x)Y
l

m
(ˆ x) = δ
ll
δ
mm
, Y
lm
(θ, φ) =
_
2l + 1

(l −m)!
(l + m)!
_
1/2
(−1)
m
e
imφ
P
m
l
(cos θ)
Y
00
=
1


; Y
10
=
_
3

cos θ Y
1±1
= ∓
_
3

e
±iφ
sin θ; Y
20
=
_
5
16π
_
3 cos
2
θ −1
_
Y
2±1
= ∓
_
15

e
±iφ
sin θ cos θ, Y
2±2
=
_
15
32π
e
±2iφ
sin
2
θ,
T
10
= V
z
T

= ∓
1

2
(V
x
±V y) (B.65)
282 APPENDIX B. MATH
Particular values are Y
lm
(θ = 0, φ) =
_
(2l + 1)/4π δ
m,0
, Y
l0
=
_
(2l + 1)/4π P
l
(cos θ),
Y
lm
= (−1)
m
Y

l,−m
, Arfken p. 912.
P
l
(cos γ) =

2l + 1
l

m=−l
Y

lm
(Ω
1
)Y
lm
(Ω
2
)
e
ik·r
= 4π

l≥0
l

m=−l
i
l
j
l
(kr)Y

lm
(
ˆ
k)Y
lm
(ˆ r) (Brasden), e
ikz
=

l≥0
(2l + 1)i
l
j
l
(kr)P
l
(cos(θ))
e
ik|x−

x

|
4π[x −

x

[
= ik

l≥0
j
l
(kr
<
)h
(1)
l
(kr
>
)
l

m=−l
Y

lm
(ˆ x)Y
lm
(
ˆ
x

),
1

1
[r
1
−r
1
[
=

l≥0
l

m=−l
1
2l + 1
r
l
<
r
l+1
>
Y
lm
(Ω
1
)Y

lm
(Ω
2
)
δ
(3)
(r −r

) =
1
r
2
δ(r
1
−r
2
)δ(cos(θ) −cos(θ

))δ(φ −φ

) =
1
r
2
δ(r −r

)

l=0
l

m=−l
Y
m
l
(θ, φ)Y
m
l

, φ

) (B.66)
In the case of Fourier transforms one has two useful identities (the first one is the Parseval’s
one):
_
d
3
p
(2π)
3
[ψ(p)[
2
=
_
d
3
x [ψ(x)[
2
R
nl
(k) = 4π(−i)
l
_
dr r
2
R
nl
(r)j
l
(kr) (B.67)
where ψ(r) = R
nl
(r)Y
lm
(ˆr) and ψ(k) = R
nl
(k)Y
lm
(
ˆ
k). Rotation matrices
D
(j)
mm

(R) ≡ < jm[ exp[−iJ θ][jm

> D
(j)
(R) = exp[−iJ θ]
Y
lm
(Ω) ≡
l

m

=−l
Y
lm
(Ω

)D
(l)
mm

(Ω) D
(l)
mm

(R) =

2l + 1
Y

lm
(Ω) (B.68)
B.4.3 Gegenbauer Polynomials
Generating Function
1
(1 −2tx + x
2
)
λ
=

n=0
C
λ
n
(t)x
n
(B.69)
for axample: C
λ
0
= 1, C
λ
1
= 2λt, C
λ
2
= 2λ(λ+1)t
2
−λ, C
λ
3
= (λ/3)(4λ
2
+12λ+8)t
3
−2λ(λ+1)t
. C
1
n
= U
n
C
1/2
n
= P
n
, C
λ
n
∼ P
1/2−λ
λ+n−1/2
?. Recurrence and Orthogonality relations are
B.4. POLYNOMIALS 283
(n + 2)C
λ
n+2
(t) = 2(λ + n + 1)tC
λ
n+1
−(2λ + n)C
λ
n
(t)
nC
λ
n
= (2λ + n −1)tC
λ
n−1
−2λ(1 −t
2
)C
λ+1
n−2
nC
λ
n
= 2λ
_
tC
λ+1
n−1
−C
λ+1
n−2
¸
(2λ + n)C
λ
n
= 2λ
_
C
λ+1
n
−tC
λ+1
n−1
¸
d
k
dt
k
C
ν
n
= 2
k
Γ(ν + k)
Γ(ν)
C
ν+k
n−k
_
1
−1
dt(1 −t
2
)
ν−1/2
C
ν
n
(t)C
ν
m
(t) =
2
1−2ν
πΓ(2ν + n)
n!(n + ν)[Γ(ν)]
2
δ
nm
(B.70)
They satisfy the differential equation
(1 −x
2
)
d
2
dx
2
C
ν
n
−(2ν + 1)x
d
dx
C
ν
n
+ n(n + 2ν)C
ν
n
= 0 (B.71)
Summation Theorem
C
λ
n
[cos ψ cos θ + sin ψ sin θ cos φ] =
Γ(2λ −1)
[Γ(λ)]
2
n

k=0
2
2k
(n −k)![Γ(λ + k)]
2
Γ(2λ + n + k)
(2λ + 2k −1)
sin
k
ψ sin
k
θC
λ+k
n−k
(cos ψ) C
λ+k
n−k
(cos θ) C
λ−1/2
k
(cos φ) (B.72)
Spherical Harmonics in the 4-th dimensional space (dΩ
4
= sin
2
θ
3

3
sin θ
2

2

1
, 0 ≤ θ
2,3

π and 0 ≤ θ
1
≤ 2π ) are
[nlm > =
_
2
2l+1
(n + 1)(n −l)!(l!)
2
π(n + l + 1)!
_
1/2
sin
l

3
)C
l+1
n−l
(cos θ
3
)Y
lm

2
, φ) (B.73)
Special values
C
ν
n
(1) =
_
2ν + 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
n−1
(x)
2T
n
(x)T
m
(x) = T
n+m
(x) + T
n−m
(x)
(1 −x
2
)T

n
= −nxT
n
+ T
n−1
(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
π/2 if n = m ,= 0
π if m = n = 0
(B.76)
Their differential 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
=

m≥0
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
= πU
n−1
(y),
_
1
−1
U
n
(x)
x −y
d x

1 −x
2
= −πT
n+1
(y) (B.78)
The last two formulas are from Gradshteyn p. 1229 in [4]
B.4.5 Laguerre Polynomials
They satisfy the differential 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
= 1−x,
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
n−1
(x) →L
n+1
(x) = 2L
n
−L
n−1

1
n + 1
[(1 + x)L
n
−L
n−1
]
xL

n
(x) = nL
n
(x) −n
2
L
n−1
(x),
_

0
dx e
−x
L
n
(x)L
m
(x) = δ
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 differential 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/(1−z)
=

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
n−1
(x), xL
k
n

(x) = nL
k
n
(x) −(n + k)L
k
n−1
(x)
_

0
dx e
−x
x
k
L
k
n
(x)L
k
m
(x) =
(n + k)!
n!
δ
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
n−1
?)
286 APPENDIX B. MATH
B.4.6 Hermite Polynomials
Generating function
G(ξ, s) = exp[−s
2
+ 2sξ] =

n=0
H
n
(ξ)
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
n−1
(x), H

n
(x) = 2nH
n−1
(x)
_

−∞
dx e
−x
2
H
n
(x)H
m
(x) = 2
n
n!

πδnm (B.87)
They satisfy the differential 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 defined as (with H
µ=0
n
= H
n
)
H
µ
2n
(x) = (−1)
n
(2n)!
n!
F(−n, µ +
1
2
, x
2
), H
µ
2n+1
(x) = (−1)
n
(2n + 1)!
n!(µ + 1/2)
xF(−n, µ +
3
2
, x
2
) (B.90)
B.5 Numerical Analysis
Finding Roots [4]
x
i+1
= x
i
−f(x
i
)
x
i
−x
i−1
f(x
i
) −f(x
i−1
)
(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
N−1
+ f
N
/2] −N
h
3
12
f

(ξ) Trapezoidal
I =
_
b
a
dxf(x) =
h
3
[f
0
+ 4f
1
+ 2f
2
+ + 4f
N−1
+ f
N
] −N
h
5
90
f
(4)
(ξ) Simpson, Neven (B.93)
In the case of the trapezoidal rule for two different 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
N−1
+ 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 N−dimentions)
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]
Gauss-Legendre 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
n−1
(x
i
) = 2(1 −x
2
i
)/[nP
n−1
(x
i
)]
2
.
288 APPENDIX B. MATH
Roots and weights for Gauss-Chebyshev Integration
The Gauss-Chebyshev formula [4]
_
1
−1
f(x)dx

1 −x
2
·
n

i=1
w
i
f(x
i
) +

2
2n
(2n)!
f
(2n)
(ξ ∈ (−1, 1)) (B.98)
with T
n
(x
i
) = 0 and w
i
the weights are
x
i
= cos
_
(i −1/2)
π
n
_
, i = 1, , n; w
i
=
π
n
(B.99)
with T
N
(x
Nk
) = 0, x
Nk
= cos[(k − 1/2)π/N]. The Chebyshev approximation formula is
(Numerical Recipes section 5.9 [4])
f(x) = −
1
2
c
1
+
N

k=1
c
k
T
k−1
(x) x ∈ [−1, 1]
c
j
=
2
N
N

k=1
f(x
Nk
)T
j−1
(x
Nk
) =
2
N
N

k=1
f
_
cos
_
k −
1
2
_
π
N
_
cos
_
(j −1)
_
k −
1
2
_
π
N
_
c

i
=
c
i−1
−c
i+1
2(i −1)
, i > 1, c

i−1
= c

i+1
+ 2(i −1)c
i
, i = n, n −1, 2, c

n
= c

n+1
= 0 (B.100)
Once the expansion coefficients, 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
π
_
1
−1
f(x)T
i
(x)
dx

1 −x
2
(B.101)
Roots and weights for Gauss-Laguerre 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)
(ξ ∈ (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 + α)(3 + 0.92α)
1 + 2.4n + 1.8α
, x
2
= x
1
+
15 + 6.25α
1 + 0.9α + 2.5n
x
k+2
= x
k+1
+
x
k+1
−x
k
1 + 0.3α
_
1 + 2.55k
1.9k
+
1.26kα
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 first
fifteen 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
k−1
(x) −c
1
/2
x −s
dx

1 −x
2
= π
n

k=1
c
k
U
k−2
(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 Hunter’s formula (See the e-book: 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 = (x−s)/, 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
±σ
i
data, with a function f(a, x) of n
p
parameters. It requires to minimize
the function
χ
2
=

_
f(a, x
i
) −y
i
σ
i
_
2
∂χ
2
∂a
= 0 (B.110)
To have a good fit χ ∼ n −n
p
The error in the parameters can be as [4]
σ
a
=
∂a
∂y
δy +
∂a
∂x
δx

2
χ
2
∂y∂a
= 0 =

2
χ
2
∂a∂a
∂a
∂y
+

2
χ
2
∂y∂a
(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)

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