Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms.
Journal
The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360
Informations de publication
Date de publication:
07 Sep 2020
07 Sep 2020
Historique:
entrez:
6
9
2020
pubmed:
7
9
2020
medline:
7
9
2020
Statut:
ppublish
Résumé
We present a near-linear scaling formulation of the explicitly correlated coupled-cluster singles and doubles with the perturbative triples method [CCSD(T)
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM