Construction of Quasi-diabatic Hamiltonians That Accurately Represent


Journal

The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903

Informations de publication

Date de publication:
04 Jun 2020
Historique:
pubmed: 7 5 2020
medline: 7 5 2020
entrez: 7 5 2020
Statut: ppublish

Résumé

We present, for systems of moderate dimension, a fitting framework to construct quasi-diabatic Hamiltonians that accurately represent

Identifiants

pubmed: 32374600
doi: 10.1021/acs.jpca.0c02763
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

4539-4548

Auteurs

Yifan Shen (Y)

Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States.

David R Yarkony (DR)

Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States.

Classifications MeSH