Double-exchange contributions to the first-order interaction energy between closed-shell molecules

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Double-exchange contributions to the first-order interaction energy between closed-shell molecules
 
Duijneveldt-van de Rijdt, J.G.C.M. van; Duijneveldt, F.B. van
(1972) Chemical Physics Letters, volume 17, issue 3, pp. 425 - 427
(Article in proceedings)
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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ISSN: 009-2614
Publisher: Elsevier
 
 
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