Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case.

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:
13 Jul 2021
Historique:
pubmed: 18 6 2021
medline: 18 6 2021
entrez: 17 6 2021
Statut: ppublish

Résumé

The extension of the frozen-density embedding theory for nonvariational methods [

Identifiants

DOI: 10.1021/acs.jctc.1c00228 PMID: 34137597
pubmed: 34137597
doi: 10.1021/acs.jctc.1c00228
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4049-4062

Auteurs

Reena Sen (R)

Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University Heidelberg, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.
ORCID: 0000-0002-7447-4239

Cristina E González-Espinoza (CE)

Department of Physical Chemistry, University of Geneva, 30, Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland.

Alexander Zech (A)

Department of Physical Chemistry, University of Geneva, 30, Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland.

Andreas Dreuw (A)

Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University Heidelberg, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.
ORCID: 0000-0002-5862-5113

Tomasz A Wesolowski (TA)

Department of Physical Chemistry, University of Geneva, 30, Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland.
ORCID: 0000-0001-5792-4616

Classifications MeSH