Introduction to the Quantum World of Atoms and Molecules
Jens P Dahl
- 476 páginas
- English
- PDF
- Disponible en iOS y Android
Introduction to the Quantum World of Atoms and Molecules
Jens P Dahl
Información del libro
This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree–Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.
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Índice
- Contents
- Preface
- 1 The Rise of Atomic Theory
- 2 The Birth of Quantum Mechanics
- 3 Wave Mechanics
- 4 Particle in a Box
- 5 Quantum-Mechanical Operators
- 6 The Free Particle
- 7 The Harmonic Oscillator
- 8 The Central Field Problem
- 9 The Hydrogen Atom
- 10 The Spinning Electron
- 11 The Periodic Table by Electron Counting
- 12 The Variational Method
- 13 Diatomic Molecules
- 14 Vibration and Rotation of Diatomic Molecules
- 15 Atomic Term Symbols
- 16 Atomic Terms. Wavefunctions and Energies
- 17 Electronic Terms of Diatomic Molecules
- 18 The Hartree-Fock Method
- 19 Density-Functional Theory
- A Complex Numbers and Quantum Mechanics
- B Atomic Units
- C Curvilinear Coordinate Systems
- D Surface Spherical Harmonics and Special Functions
- E The 5-Function
- Index