N-electron valence state perturbation theory
id:
n-electron-valence-state-perturbation-theory-254-2049435
title:
N-electron valence state perturbation theory
text:
In quantum chemistry, n-electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions. It can be considered as a generalization of the well-known second-order Møller–Plesset perturbation theory to multireference Complete Active Space cases. The theory is directly integrated into many quantum chemistry packages such as MOLCAS, Molpro, DALTON, PySCF and ORCA. The research performed into the development of this theory led to var
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wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/N-electron_valence_state_perturbation_theory
date created:
date modified:
2023-08-12T14:59:48Z
main entity:
{"identifier":"Q3984072","url":"https://www.wikidata.org/entity/Q3984072"}
image:
fields total:
13
integrity:
13