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| 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 |
| Appears in Collections: | Article
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