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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/9360

Title: CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS
Authors: KADOLKAR, C
SARMA, CR
RETTRUP, S
Keywords: valence-bond theory
states
Issue Date: 1995
Publisher: JOHN WILEY & SONS INC
Citation: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 53(2), 183-187
Abstract: 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.
URI: http://dx.doi.org/10.1002/qua.560530205
http://dspace.library.iitb.ac.in/xmlui/handle/10054/9360
http://hdl.handle.net/10054/9360
ISSN: 0020-7608
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