CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS

Authors
KADOLKAR C SARMA CR RETTRUP S
Citation
C. Kadolkar et al., CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS, International journal of quantum chemistry, 53(2), 1995, pp. 183-187
Citations number
30
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
53
Issue
2
Year of publication
1995
Pages
183 - 187
Database
ISI
SICI code
0020-7608(1995)53:2<183:CSUBAT>2.0.ZU;2-5
Abstract
In the present article, we have attempted a systematic procedure for u se of biorthogonal techniques to the configuration interaction studies in molecules using nonorthogonal valence bond (VB) orbitals. The proc edure developed is integral-driven and a program based on this has bee n developed. Test runs of the program have been carried out in case of full and truncated configuration spaces. (C) 1995 John Wiley and Sons , Inc.