Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark.

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:
12 May 2020
Historique:
pubmed: 25 4 2020
medline: 25 4 2020
entrez: 25 4 2020
Statut: ppublish

Résumé

A formulation of range-separated random phase approximation (RPA) based on our efficient ω-CDGD-RI-RPA [

Identifiants

DOI: 10.1021/acs.jctc.9b01294 PMID: 32329618
pubmed: 32329618
doi: 10.1021/acs.jctc.9b01294
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

2985-2994

Auteurs

Andrea Kreppel (A)

Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.

Daniel Graf (D)

Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.

Henryk Laqua (H)

Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.

Christian Ochsenfeld (C)

Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.
Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart, Germany.
ORCID: 0000-0002-4189-6558

Classifications MeSH