Complete active space perturbation theory
id:
complete-active-space-perturbation-theory-281-8359024
title:
Complete active space perturbation theory
text:
Complete active space perturbation theory (CASPTn) is a multireference electron correlation method for computational investigation of molecular systems, especially for those with heavy atoms such as transition metals, lanthanides, and actinides. It can be used, for instance, to describe electronic states of a system, when single reference methods and density functional theory cannot be used, and for heavy atom systems for which quasi-relativistic approaches are not appropriate. Although perturba
brand slug:
wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Complete_active_space_perturbation_theory
date created:
date modified:
2023-08-13T12:32:31Z
main entity:
{"identifier":"Q25304396","url":"https://www.wikidata.org/entity/Q25304396"}
image:
{"content_url":"https://upload.wikimedia.org/wikipedia/commons/3/30/A_qualitative_sketch_of_multi-reference_wavefunction_methods.png","width":1437,"height":675}
fields total:
13
integrity:
14