Efficient Density-Fitted Explicitly Correlated Dispersion and Exchange Dispersion Energies.


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
09 Mar 2021
Historique:
pubmed: 20 2 2021
medline: 20 2 2021
entrez: 19 2 2021
Statut: ppublish

Résumé

The leading-order dispersion and exchange-dispersion terms in symmetry-adapted perturbation theory (SAPT),

Identifiants

pubmed: 33606539
doi: 10.1021/acs.jctc.0c01158
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1435-1456

Auteurs

Monika Kodrycka (M)

Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849, United States.

Konrad Patkowski (K)

Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849, United States.

Classifications MeSH