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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 50, 1983 - Issue 6
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Original Articles

The long range model of intermolecular forces

An SCF study of NeHF

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Pages 1349-1361 | Received 20 Jun 1983, Accepted 19 Jul 1983, Published online: 23 Aug 2006
 

Abstract

Results of an SCF supermolecule study of Ne .. HF are compared with the long range model of the interaction energy and dipole moment. A minimum is found for linear Ne .. HF with R(Ne-F) ≈ 7·25 a 0. When basis superposition error is considered in detail, the long range model accounts for the SCF energy and dipole in as far as the minimum.

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