Symmetry-adapted perturbation theory
id:
symmetry-adapted-perturbation-theory-253-9569755
title:
Symmetry-adapted perturbation theory
text:
Symmetry-adapted perturbation theory or SAPT is a methodology in electronic structure theory developed to describe non-covalent interactions between atoms and/or molecules. SAPT is a member of the family of methods known as energy decomposition analysis (EDA). Most EDA methods decompose a total interaction energy that is computed via a supermolecular approach, such that: where Δ E i n t is the total interaction energy obtained via subtracting isolated monomer energies E A and E B from the dimer
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wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Symmetry-adapted_perturbation_theory
date created:
date modified:
2023-07-17T11:18:55Z
main entity:
{"identifier":"Q27963094","url":"https://www.wikidata.org/entity/Q27963094"}
image:
fields total:
13
integrity:
13