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Exchange dispersion effect in the interaction between HF molecules

โœ Scribed by G. Chalasinski

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
419 KB
Volume
86
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The cxclwngc dlspcrsmn energy for the Incar HF dlmer is shown to quench =alO% of the drspcrsmn term an the regmn of the munmum. Slmphficd formuhc for cvaluatlon of the c\ch;lngc dlspcrslon effect arc tested.

๐Ÿ“œ SIMILAR VOLUMES

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Explicit formuias are presented for the doublcexchange 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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## An explicit comparison is made between first-and second-order perturbation expressions for exchange interactions given by the Eisenschitz-London-Van der Avoird formalism and by a Schrocdinger-type procedure. Relative three-atom exchange interactions are found to be very similar in the two forma