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基本説明
Features: Clear presentation of basic quantum mechanics; Separate sections treat needed mathematical techniques.
Full Description
Fundamentals of Quantum Chemistry is an introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods.
Contents
1. The Early Days 2. The Quantum Mechanical Way of Doing Things 3. Particles in Boxes 4. The Hydrogen Atom 5. More Complex Atoms 6. Vibrations and the Harmonic Oscillator 7. Molecular Rotation and Spectroscopy 8. Barrier Penetration 9. Diatomic Molecules 10. Symmetry 11. Huckel Molecular Orbital Methods 12. More Complete Molecular Orbital Methods



