Methods of molecular quantum mechanics
著者
書誌事項
Methods of molecular quantum mechanics
（Theoretical chemistry : a series of monographs）
Academic, c1992
2nd ed
- : pbk
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注記
"Harcout Brace Jovanovich, publishers"
Includes refernces and index
内容説明・目次
内容説明
The last twenty years have seen remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first successful edition of this book have been implemented on a grand scale. In the Second Edition, McWeeny has completely revised the text and has added a wealth of new material and example problems.
目次
Introductory Survey. Mathematical Methods. Many-Electron Wavefunctions. Spin and Permutation Symmetry. Digression: The Electron Distribution. Self-Consistent Field Theory. Valence Bond Theory. Multiconfiguration SCF Theory. Perturbation Theory and Diagram Techniques. Large-Scale CI and the Unitary-Group Approach. Small Terms in the Hamiltonian. Static Properties. Dynamic Properties and Response Theory. Propagator and Equation-of-Motion Methods. Intermolecular Forces. Appendixes: Atomic Orbitals. Angular Momentum. Symmetry and Group Concepts. Relativistic Terms in the Hamiltonian. References. Index.
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