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On the evaluation of CI matrix elements for a canonically ordered basis |
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| Authors: | Paul J. A. Ruttink |
| Affiliation: | (1) Theoretical Chemistry Group, State University of Utrecht, Padualaan 8, De Uithof, Utrecht, The Netherlands |
| Abstract: | Using the unitary group approach it is shown that the amount of storage needed for the construction of symbolic CI matrix element lists for N-electron basis functions with large numbers of open shells and arbitrary multiplicities may substantially be reduced compared to methods currently available in the literature. |
| Keywords: | CI matrix elements, construction of |
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