XMVB : a program for ab initio nonorthogonal valence bond computations
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 preferably a few select...
| Publié dans: | Journal of computational chemistry. - 1984. - 26(2005), 5 vom: 15. Apr., Seite 514-21 |
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| Auteur principal: | |
| Autres auteurs: | , , |
| Format: | Article |
| Langue: | English |
| Publié: |
2005
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article |