Quantum chemistry
著者
書誌事項
Quantum chemistry
Prentice Hall, c2009
6th 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 Spin-Statistics Theorem.
11. Many-Electron Atoms.
12. Molecular Symmetry.
13. Electronic Structure of Diatomic Molecules.
14. Theorems of Molecular Quantum Mechanics.
15. Molecular Electronic Structure.
16. Electron-Correlation Methods.
17. Semiempirical and Molecular-Mechanics Treatments of Molecules.
18. Comparisons of Methods.
Appendix.
Bibliography.
Answers to Selected Problems.
Index.
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