The determination and interpretation of molecular wave functions
著者
書誌事項
The determination and interpretation of molecular wave functions
（Cambridge monographs in physical chemistry, 3）
Cambridge University Press, 1976
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注記
Bibliography: p. 195-199
Includes index
内容説明・目次
内容説明
First published in 1976, this monograph presents an exposition of some of the more important theoretical and computational techniques that have been developed for the determination and interpretation of molecular wave functions. Although a comprehensive theory of the electronic structure and bonding in molecules had been developed by 1960, only with the advent of the electronic computer in the late 1950s did it become possible to perform accurate non-empirical calculations for molecules of chemical interest; indeed, much of the subsequent evolution of the theory has occurred in parallel with the development of computing machines and techniques.
目次
- 1. Introduction
- 2. Symmetry
- 3. The orbital approximation
- 4. Beyond the orbital approximation
- 5. Representation of the orbitals
- 6. The electron distribution
- 7. The chemical bond.
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