Many-body interactions, symmetry adapted perturbation theory and chemical bonding in beryllium clusters

• Autorzy: Kaplan I.G.
• Języki publikacji: EN

Abstrakty

EN

The general formulae for decomposition of many-body interaction energies in the double SAPT and the ab initio model potential for the Be3 cluster are presented. The analysis of exchange and dispersion contributions to the model potential allows to elucidate the nature of binding in beryllium clusters. Two kind of stabilizing forces are responsible for binding: the additive local van der Waals forces and the nonadditive delocalized exchange forces.

Słowa kluczowe

EN

many-body interactions; symmetry adapted perturbation theory; non-additivity; Be3

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 1998
• Tom: Vol. 72, nr 7S
• Strony: 1454--1463
• Opis fizyczny: Bibliogr. 36 poz., tab.

Twórcy

autor

Kaplan I.G.