Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations.
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:
11 May 2021
11 May 2021
Historique:
pubmed:
23
4
2021
medline:
23
4
2021
entrez:
22
4
2021
Statut:
ppublish
Résumé
The present work is the second part in our three-part series on the comparison of many-particle representations for the selected configuration interaction (CI) method. In this work, we present benchmark calculations based on our selected CI program called the iterative configuration expansion (ICE) that is inspired by the CIPSI method of Malrieu and co-workers (Malrieu
Identifiants
pubmed: 33886300
doi: 10.1021/acs.jctc.1c00081
pmc: PMC8279407
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
2868-2885Références
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