Introduction to Relativistic Quantum Chemistry

PART I: Foundations
1: Introduction
2: Basic Special Relativity
3: Relativistic Electromagnetic Interactions
PART II: The Dirac Equation: Solutions and Properties
4: The Dirac Equation
5: Negative-Energy States and Quantum Electrodynamics
6: Relativistic Symmetry
7: One-Electron Atoms
8: Properties of Relativistic Mean-Field Theory
PART III: Four-Component Methodology
9: Operators, Matrix Elements and Wave Functions under Time Reversal Symmetry
10: Matrices and Wave Functions under Double-Group Symmetry
11: Basis Set Expansions of Relativistic Electronic Wave Functions
12: Correlation Methods
13: Molecular properties
14: Density Functional Approaches to Relativistic Quantum Mechanics
PART IV: Approximations to the Dirac equation
15: Spin Separation and the Modified Dirac Equation
16: Unitary Transformations of the Dirac Hamiltonian
17: Perturbation Methods
18: Regular Approximations
19: Matrix Approximations
20: Core Approximations
21: Spin-orbit Configuration Interaction Methods
PART V: The Nature of the Relativistic Chemical Bond
22: Relativistic Effects on Molecular Bonding and Structure
Appendix A: Four-vector Quantities
Appendix B: Vector Relations
Appendix C: Elements of Group Theory
Appendix D: Group Tables
Appendix E: Change of Metric for Modified Wave Functions
Appendix F: Two-Electron Gauge Terms for the Modified Dirac Operator
Appendix G: The Second-Order Term of the Douglas-Kroll Expansion
Appendix H: Transformed Operators for Electric and Magnetic Properties
Appendix I: Gauge Term Contributions from the Breit Interaction to the Breit- Pauli Hamiltonian
Appendix J: Approximations in Relativistic Density Functional Theory
Appendix K: The Cowan-Griffin and Wood-Boring Equations.
Appendix L: Supplementary Reading
Bibliography