Scalable Molecular GW Calculations: Valence and Core Spectra.


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:
14 Dec 2021
Historique:
pubmed: 3 12 2021
medline: 3 12 2021
entrez: 2 12 2021
Statut: ppublish

Résumé

We present a scalable implementation of the

Identifiants

pubmed: 34855381
doi: 10.1021/acs.jctc.1c00738
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

7504-7517

Auteurs

Daniel Mejia-Rodriguez (D)

Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

Alexander Kunitsa (A)

Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, United States.

Edoardo Aprà (E)

Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

Niranjan Govind (N)

Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

Classifications MeSH