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The pairwise-correlated generalized valence bond model of electronic structure. V. A multiconfiguration overlap approximation for gvb pair energies

โœ Scribed by G. A. Petersson; M. R. Nyden; J. T. Chupka; P. B. Ryan; H. D. Todd

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
825 KB
Volume
14
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Pairwise correlated generalized valence
Pairwise correlated generalized valence bond model of electronic structure. VII. The b3โˆ‘ state of H2
โœ Marc R. Nyden; G. A. Petersson ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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^โˆ‘ state of H~2~, this approximation reproduces the obser