The determination and interpretation of molecular wave functions
Author(s)
Bibliographic Information
The determination and interpretation of molecular wave functions
（Cambridge monographs in physical chemistry, 3）
Cambridge University Press, 1976
Available at / 16 libraries
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National Institutes of Natural Sciences Okazaki Library and Information Center図
431.12/St39105876214
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Hokkaido University, Library, Graduate School of Science, Faculty of Science and School of Science図書
dc19:541.2/st352020945908
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Note
Bibliography: p. 195-199
Includes index
Description and Table of Contents
Description
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.
Table of Contents
- 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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