MANY-BODY INTERACTIONS, SYMMETRY-ADAPTED PERTURBATION-THEORY AND CHEMICAL BONDING IN BERYLLIUM CLUSTERS

Authors
Citation
Ig. Kaplan, MANY-BODY INTERACTIONS, SYMMETRY-ADAPTED PERTURBATION-THEORY AND CHEMICAL BONDING IN BERYLLIUM CLUSTERS, Polish Journal of Chemistry, 72(7), 1998, pp. 1454-1463
Citations number
36
Categorie Soggetti
Chemistry
Journal title
ISSN journal
01375083
Volume
72
Issue
7
Year of publication
1998
Supplement
S
Pages
1454 - 1463
Database
ISI
SICI code
0137-5083(1998)72:7<1454:MISPAC>2.0.ZU;2-P
Abstract
The general formulae for the decomposition of many-body interaction en ergies in the double SAFT and the ab initio model potential for the Be -3 cluster are presented. The analysis of exchange and dispersion cont ributions to the model potential allows to elucidate the nature of bin ding in beryllium clusters. Two kind of stabilizing forces are respons ible for binding: the additive local van der Waals forces and the nona dditive delocalized exchange forces.