VALENCE: a program for calculating bond valences
β Scribed by Brown, I. D.
- Book ID
- 114501089
- Publisher
- International Union of Crystallography
- Year
- 1996
- Tongue
- English
- Weight
- 193 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0021-8898
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract An __ab initio__ nonorthogonal valence bond program, called XMVB, is described in this article. The XMVB package uses HeitlerβLondonβSlaterβPauling (HLSP) functions as state functions, and calculations can be performed with either all independent state functions for a molecule or prefer
## Abstract An __ab initio__ valence bond (VB) method for calculating energies and wave functions for simple electronic systems is described and the results of its application to methylene are given together with extensive comparisons with previous theoretical results.