Abstract
AbstractThe performance of the recently developed multi-reference extension of ring coupled cluster doubles is investigated for dispersion energy calculations, applied to the generalized valence bond wave function. The leading-order contribution to the dispersion energy is shown to have the correct asymptotic behaviour. Illustrative calculations on noble gas dimers are presented.
Funder
New National Excellence Program of the Hungarian Ministry for Innovation and Technology
ELTE Institutional Excellence Program supported by the Hungarian Ministry of Human Capacities
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Cited by
2 articles.
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