Angular Momentum

1.1 Orbital Angular Momentum - Spherical

1.1.1 Quantum Mechanics of Angular Momentum

1.1.2 Spherical Coordinates - Spherical Harmonics

1.2 Spin Angular Momentum

1.2.1 Spin 1/2 and Spinors

1.2.2 Inﬁnitesimal Rotations of Vector Fields

1.2.3 Spin 1 and Vectors

1.3 Clebsch-Gordan Coeﬃcients

1.3.2 Irreducible Tensor Operators

1.4. GRAPHICAL REPRESENTATION - BASIC RULES 19

1.4 Graphical Representation - Basic rules

1.5. SPINOR AND VECTOR SPHERICAL HARMONICS 21

1.5 Spinor and Vector Spherical Harmonics

1.5.1 Spherical Spinors

1.5.2 Vector Spherical Harmonics

2.1 Radial Schr¨odinger Equation

2.2 Coulomb Wave Functions

2.3. NUMERICAL SOLUTION TO THE RADIAL EQUATION 31

2.3 Numerical Solution to the Radial Equation

2.3.1 Adams Method (adams)

2.3.2 Starting the Outward Integration (outsch)

2.3.3 Starting the Inward Integration (insch)

2.4 Quadrature Rules (rint)

2.5 Potential Models

2.5.1 Parametric Potentials

2.5.2 Thomas-Fermi Potential

2.6. SEPARATION OF VARIABLES FOR DIRAC EQUATION 51

2.6 Separation of Variables for Dirac Equation

2.7 Radial Dirac Equation for a Coulomb Field

2.8. NUMERICAL SOLUTION TO DIRAC EQUATION 57

2.8 Numerical Solution to Dirac Equation

2.8.2 Eigenvalue Problem for Dirac Equation (master)

2.8.3 Examples using Parametric Potentials

Self-Consistent Fields

3.1 Two-Electron Systems

3.2 HF Equations for Closed-Shell Atoms

3.3.2 Reﬁning the Solution (nrhf)

3.4 Atoms with One Valence Electron

3.5 Dirac-Fock Equations

Atomic Multiplets

4.1 Second-Quantization

4.2 6-j Symbols

4.3 Two-Electron Atoms

4.4 Atoms with One or Two Valence Electrons

4.5 Particle-Hole Excited States

4.6 9-j Symbols

4.7 Relativity and Fine Structure

4.7.1 He-like ions

4.7.2 Atoms with Two Valence Electrons

4.7.3 Particle-Hole States

5.1 Hyperﬁne Structure

5.2 Atoms with One Valence Electron

5.2.1 Pauli Approximation

5.3 Isotope Shift

5.3.1 Normal and Speciﬁc Mass Shifts

5.4 Calculations of the SMS

5.4.1 Angular Decomposition

5.4.2 Application to One-Electron Atom

5.5 Field Shift

Radiative Transitions

6.1 Review of Classical Electromagnetism

6.1.1 Electromagnetic Potentials

6.1.2 Electromagnetic Plane Waves

6.2 Quantized Electromagnetic Field

6.2.1 Eigenstates of Ni

6.2.2 Interaction Hamiltonian

6.2.3 Time-Dependent Perturbation Theory

6.2.4 Transition Matrix Elements

6.2.5 Gauge Invariance

6.2.6 Electric Dipole Transitions

6.2.7 Magnetic Dipole and Electric Quadrupole Transi-
tions

6.2.8 Nonrelativistic Many-Body Amplitudes

6.3 Theory of Multipole Transitions

Introduction to MBPT

7.1 Closed-Shell Atoms

7.1.1 Angular Momentum Reduction

7.1.2 Example: 2nd-order Energy in Helium

7.2 B-Spline Basis Sets

7.2.1 Hartree-Fock Equation and B-splines

7.2.2 B-spline Basis for the Dirac Equation

7.2.3 Application: Helium Correlation Energy

7.3 Atoms with One Valence Electron

7.3.1 Second-Order Energy

7.3.2 Angular Momentum Decomposition

7.3.3 Quasi-Particle Equation and Brueckner-Orbitals

7.4.2 Angular Reduction of the Breit Interaction

7.4.3 Coulomb-Breit Many-Electron Hamiltonian

7.4.4 Closed-Shell Energies

7.4.5 One Valence Electron

7.5 CI Calculations

7.5.1 Relativistic CI Calculations

MBPT for Matrix Elements

8.1 Second-Order Corrections

8.1.1 Angular Reduction

8.2 Random-Phase Approximation

8.2.1 Gauge Independence of RPA

8.2.2 RPA for hyperﬁne constants

8.3 Third-Order Matrix Elements

8.4. MATRIX ELEMENTS OF TWO-PARTICLE OPERATORS 223

8.4 Matrix Elements of Two-particle Operators

8.4.1 Two-Particle Operators: Closed-Shell Atoms

8.4.2 Two-Particle Operators: One Valence Electron
Atoms

8.5 CI Calculations for Two-Electron Atoms

8.5.1 E1 Transitions in He

Exercises

A.1 Chapter 1

A.2 Chapter 2

A.3 Chapter 3

A.4 Chapter 4

A.5 Chapter 5

A.6 Chapter 6