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On the theory for closed shell intermolecular forces

โœ Scribed by J. Lloyd; D. Pugh

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
234 KB
Volume
39
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The electron gas model of Gordcn and Kim is applied to the interaction of inert gases with a hydrogen molecule. Comparison of the isotropic potential wells with available experimental data shows clearly that modification of the exchange potential along the lines suggested by Rae produces greatly improved agreement when simple power series representations of the dispersion energy are included.

Recently Rae [ 1.21 has argued that the excbge potential present in the Gordon and Kim (GK) model [3] for overlap dependent closed shell intermolecular forces should be corrected to remove self-exchange terms present in the electron gas formulae [3,4] used.

๐Ÿ“œ SIMILAR VOLUMES

A theory for the interactions between cl
A theory for the interactions between closed shell systems
โœ A.I.M. Rae ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 321 KB

A recznt theory for intermoleculx interxtions is modified by the exclusion of a "self-exchange" contribution and the inclusion of dispersive interactions. Improved agreement Mth experimental measurements of rare gas interaction potentials is obtained.

On the theory of intermolecular forces b
On the theory of intermolecular forces between inert gas atoms
โœ J. Lloyd; D. Pugh ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 252 KB

The method described by Gordon and Kim and modified by Rae has been further modiIkd to restrict the self-exchange correction to nn electron gas composed of the outer shell electrons. Revised rcsuhs are presented for the interaction potentials between various pairs of inert gas atoms. Gordon and Kim