On the Estimation of the Remainder Term in Møller-Plesset MP2 Theory from Limited Configuration Interaction

On the Estimation of the Remainder Term in Møller-Plesset MP2 Theory from Limited Configuration Interaction

Abstract: In a previous paper, we have avoided an infinite order perturbation expansion and obtained a closed expression which consists of the second-order Møller-Plesset energy component together with a remainder term. The applicabilty of second-order many-body perturbation theory with a Møll...

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Bibliographic Details
Main Authors: S. Wilson, I. Hubac
Format: Article
Language:English
Published: MDPI AG 2002-05-01
Series:International Journal of Molecular Sciences
Subjects:
Electron correlation
Møller-Plesset theory
MP2
Configuration interaction
CISD
Brillouin-Wigner perturbation theory
generalized Brillouin-Wigner perturbation theory
Online Access:http://www.mdpi.com/1422-0067/3/5/570/

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http://www.mdpi.com/1422-0067/3/5/570/

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