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Ab initio nonorthogonal valence bond methods

✍ Scribed by Peifeng Su; Wei Wu

Book ID
112232652
Publisher
Wiley (John Wiley & Sons)
Year
2012
Tongue
English
Weight
283 KB
Volume
3
Category
Article
ISSN
1759-0876

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## Abstract An __ab initio__ nonorthogonal valence bond program, called XMVB, is described in this article. The XMVB package uses Heitler–London–Slater–Pauling (HLSP) functions as state functions, and calculations can be performed with either all independent state functions for a molecule or prefer

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