Multi-configurational self-consistent field
id:
multi-configurational-self-consistent-field-281-15519895
title:
Multi-configurational self-consistent field
text:
Multi-configurational self-consistent field (MCSCF) is a method in quantum chemistry used to generate qualitatively correct reference states of molecules in cases where Hartree–Fock and density functional theory are not adequate. It uses a linear combination of configuration state functions (CSF), or configuration determinants, to approximate the exact electronic wavefunction of an atom or molecule. In an MCSCF calculation, the set of coefficients of both the CSFs or determinants and the basis f
brand slug:
wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Multi-configurational_self-consistent_field
date created:
date modified:
2023-11-14T19:07:25Z
main entity:
{"identifier":"Q2266294","url":"https://www.wikidata.org/entity/Q2266294"}
image:
fields total:
13
integrity:
13