Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes

Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes

Using basis-set extrapolation schemes for a given data set, we evaluated the binding energies and geometries at the complete basis set (CBS) limit at the levels of the second order Møller-Plesset perturbation theory (MP2) and the coupled cluster theory with singles, doubles, and perturbative triples...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 29(2008), 8 vom: 01. Juni, Seite 1208-21
1. Verfasser: Min, Seung Kyu (VerfasserIn)
Weitere Verfasser: Lee, Eun Cheol, Lee, Han Myoung, Kim, Dong Young, Kim, Dongwook, Kim, Kwang S
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2008
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't