On the theory of electron correlation in atoms and molecules: Relation between cluster expansion theory and the correlated wave functions method
✍ Scribed by Keith R. Roby
- Publisher
- John Wiley and Sons
- Year
- 1971
- Tongue
- English
- Weight
- 437 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A relation between the cluster expansion theory of many electron wave functions and the correlated wave functions method is established. In this way, the theoretical basis of the method is elucidated and the approximations involved in its application become apparent. General forms of the correlated wave function, differing in certain important respects from that form usually assumed, are derived.
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## Abstract The symmetry‐adapted‐cluster (SAC) and SAC–CI theories reported previously have been applied to the study of electron correlations in ground state, singlet and triplet excited states, ionized state, and electron attached state. Formulas for calculations of one‐electron properties and tr
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