r

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:
14 Feb 2021
Historique:
entrez: 16 2 2021
pubmed: 17 2 2021
medline: 17 2 2021
Statut: ppublish

Résumé

We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015)] with the latest generation semi-classical London dispersion correction. The resulting density functional approximation r

Identifiants

DOI: 10.1063/5.0041008 PMID: 33588552
pubmed: 33588552
doi: 10.1063/5.0041008
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

061101

Auteurs

Sebastian Ehlert (S)

Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstr. 4, 53115 Bonn, Germany.
ORCID: 000000017809771X

Uwe Huniar (U)

Biovia, Dassault Systèmes Deutschland GmbH, Imbacher Weg 46, 51379 Leverkusen, Germany.
ORCID: 0000000344717321

Jinliang Ning (J)

Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, USA.
ORCID: 0000000236915291

James W Furness (JW)

Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, USA.
ORCID: 0000000331460977

Jianwei Sun (J)

Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, USA.
ORCID: 0000000223616823

Aaron D Kaplan (AD)

Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA.
ORCID: 0000000334394856

John P Perdew (JP)

Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA.
ORCID: 000000034237824X

Jan Gerit Brandenburg (JG)

Enterprise Data Office, Merck KGaA, Frankfurter Str. 250, 64293 Darmstadt, Germany.
ORCID: 0000000292192948

Classifications MeSH