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Weak intermolecular interaction
Authors:Miroslav Urban  Pavel Hobza
Affiliation:1. Department of Physical Chemistry, Komensky University, 80100, Bratislava, Czechoslovakia
2. Institute of Hygiene and Epidemiology, 10042, Praha 10, Czechoslovakia
Abstract:The SCF interaction energy (ΔE SCF) between two hydrogen molecules was separated into (Coulomb + exchange) and (induction + charge-transfer) components. The effect of the basis set and orientation of the two molecules on the ΔE SCF energy and its components are discussed.
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