Double-exchange contributions to the first-order interaction energy between closed-shell molecules |
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| Authors: | Jeanne G.C.M. Van duijneveldt-van de rijdtFrans B. Van duijneveldt |
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| Affiliation: | Department of Theoretical Organic Chemistry, University of Utrecht, Utrecht, The Netherlands |
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| Abstract: | Explicit formulas are presented for the double-exchange first-order interaction energy of two closed-shell molecules. Calculations on He2 show that the double-exchange terms contribute significantly for R < 3.5 au. |
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