Weak intermolecular interaction |
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Authors: | Miroslav Urban Pavel Hobza |
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Affiliation: | 1. Department of Physical Chemistry, Komensky University, 80100, Bratislava, Czechoslovakia 2. Institute of Hygiene and Epidemiology, 10042, Praha 10, Czechoslovakia
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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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