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Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB |
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| Authors: | Thorstein Thorsteinsson David L. Cooper Joseph Gerratt Mario Raimondi |
| Affiliation: | (1) Department of Chemistry, University of Liverpool, P.O. Box 147, Liverpool L69 3BX, UK, GB;(2) School of Chemistry, University of Bristol, Cantocks Close, Bristol BS8 1TS, UK, GB;(3) Dipartimento di Chimica Fisica ed Elettrochimica, Università di Milano, Via Golgi 19, 20133 Milano, Italy, IT |
| Abstract: | |
| Keywords: | : CASVB CASSCF VB Symmetry adaptation Spin-coupled |
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