Quantum chemistry
著者
書誌事項
Quantum chemistry
Prentice Hall, c2000
5th ed
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
Intended for beginning graduate and advanced undergraduate courses in Quantum Chemistry.
Integrating many new computer-oriented examples and problems throughout, this best-selling, easy-to-understand modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronic structure. Practical for students in all branches of chemistry, it offers a solid understanding of quantum mechanics and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.
目次
1. The Schroedinger Equation.
2. The Particle in a Box.
3. Operators.
4. The Harmonic Oscillator.
5. Angular Momentum.
6. The Hydrogen Atom.
7. Theorems of Quantum Mechanics.
8. The Variation Method.
9. Perturbation Theory.
10. Electron Spin and the Pauli Principle.
11. Many-Electron Atoms.
12. Molecular Symmetry.
13. Electronic Structure of Diatomic Molecules.
14. The Virial Theorem and the Hellmann-Feynman Theorem.
15. Ab Initio and Density-Functional Treatments of Molecules.
16. Semiempirical and Molecular-Mechanics Treatments of Molecules.
17. Comparisons of Methods.
Appendix.
Bibliography.
Answers to Selected Problems.
Index.
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