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MP2[V] - A simple approximation to second-order møller-plesset perturbation theory

Deng, Jia; Gilbert, Andrew; Gill, Peter

Description

We propose a simplified variant of the dual-basis MP2[K] scheme [ J. Chem. Phys. 2011, 134, 081103 ] that bootstraps a small-basis MP2 result to a large-basis one. This simplified method, which we call MP2[V], assumes the occupied orbitals are adequately

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
URI: http://hdl.handle.net/1885/67407
Source: Journal of Chemical Theory and Computation (JCTC)
DOI: 10.1021/acs.jctc.5b00147

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