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The electronic structure of the F2, Cl2, Br2molecules: the description of charge-shift bonding within the generalized valence bond ansatz

✍ Scribed by André G. H. Barbosa; Alvaro M. Barcelos


Publisher
Springer
Year
2008
Tongue
English
Weight
372 KB
Volume
122
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES


Pairwise correlated generalized valence
✍ Marc R. Nyden; G. A. Petersson 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 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^∑ state of H~2~, this approximation reproduces the obser