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The Pairwise Correlated Generalized Valence Bond Model of Electronic Structure I; The Estimation of Pair Energies from Orbital Overlaps

✍ Scribed by G. A. Petersson


Book ID
123652497
Publisher
National Academy of Sciences
Year
1974
Tongue
English
Weight
696 KB
Volume
71
Category
Article
ISSN
0027-8424

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Pairwise correlated generalized valence
✍ Marc R. Nyden; G. A. Petersson πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 337 KB

## Abstract A modification of the overlap approximation for triplet pair correlation energies is presented. The modification allows the use of either the canonical absolute overlap or the minimum absolute overlap. When applied to the __b__ ^3^βˆ‘ state of H~2~, this approximation reproduces the obser