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CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS

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Title CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS
 
Creator KADOLKAR, C
SARMA, CR
RETTRUP, S
 
Subject valence-bond theory
states
 
Description In the present article, we have attempted a systematic procedure for use of biorthogonal techniques to the configuration interaction studies in molecules using nonorthogonal valence bond (VB) orbitals. The procedure developed is integral-driven and a program based on this has been 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.
 
Publisher JOHN WILEY & SONS INC
 
Date 2011-08-04T12:29:53Z
2011-12-26T12:54:43Z
2011-12-27T05:42:56Z
2011-08-04T12:29:53Z
2011-12-26T12:54:43Z
2011-12-27T05:42:56Z
1995
 
Type Article
 
Identifier INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 53(2), 183-187
0020-7608
http://dx.doi.org/10.1002/qua.560530205
http://dspace.library.iitb.ac.in/xmlui/handle/10054/9360
http://hdl.handle.net/10054/9360
 
Language en