Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science (Hardback)
Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science (Hardback)
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From the back cover: "From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists."BRIEF CONTENTS
- Preface
- 1 - Introduction
- PART I - FUNDAMENTALS
- 2 - Elements of Classical Mechanics and Electrodynamics
- 3 - Concepts of Special Relativity
- 4 - Basics of Quantum Mechanics
- PART II - DIRAC'S THEORY OF THE ELECTRON
- 5 - Relativistic Theory of the Electron
- 6 - The Dirac Hydrogen Atom
- PART III - FOUR-COMPONENT MANY-ELECTRON THEORY
- 7 - Quantum Electrodynamics
- 8 - First-Quantized Dirac-Based Many-Electron Theory
- 9 - Many-Electron Atoms
- 10 - General Molecules and Molecular Aggregates
- PART IV - TWO-COMPONENT HAMILTONIANS
- 11 - Decoupling the Negative-Energy States
- 12 - Douglas-Kroll-Hess Theory
- 13 - Elimination Techniques
- PART V - CHEMISTRY WITH RELATIVISTIC HAMILTONIANS
- 14 - Special Computational Techniques
- 15 - External Electromagnetic Fields and Molecular Properties
- 16 - Relativistic Effects in Chemistry
- APPENDIX
- A - Vector and Tensor Calculus
- B - Kinetic Energy in Generalized Coordinates
- C - Technical Proofs for Special Relativity
- D - Relations for Pauli and Dirac Matrices
- E - Fourier Transformations
- F - Discretization and Quadrature Schemes
- G - List of Abbreviations and Acronyms
- H - List of Symbols
- References
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PUBLISHER: Wiley-VCH
ISBN-13: 9783527312924
ISBN-10: 3527312927