Correlation Paradox of the Dissociation Limit: A Quantum Information Perspective.
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 Jul 2020
14 Jul 2020
Historique:
pubmed:
21
5
2020
medline:
21
5
2020
entrez:
21
5
2020
Statut:
ppublish
Résumé
The interplay between electron interaction and geometry in a molecular system can lead to rather paradoxical situations. The prime example is the dissociation limit of the hydrogen molecule. While a significant increase of the distance
Identifiants
pubmed: 32433873
doi: 10.1021/acs.jctc.0c00054
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM