The evaluation of molecular electronic matrix elements using the symmetric group |
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| Authors: | TEH Walker JI Musher |
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| Institution: | 1. Department of Materials Science , Northwestern University , Evanston, Illinois, 60021;2. Belfer Graduate School of Science, Yeshiva University , New York, New York, 10033Requests for reprints should be sent to this address. |
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| Abstract: | The properties of the symmetric group are used to deduce matrix elements of one and two-electron operators between molecular states. It is shown that these techniques can be applied to any point group as long as no irreducible representation is more than doubly degenerate. |
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