A Density Matrix Renormalization Group Study of the Low-Lying Excited States of a Molybdenum Carbonyl-Nitrosyl Complex.
density matrix renormalization group
molybdenum
photodissociation
time-dependent density functional calculations
transition metal complexes
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
18 Nov 2021
18 Nov 2021
Historique:
revised:
06
09
2021
received:
23
07
2021
pubmed:
9
9
2021
medline:
9
9
2021
entrez:
8
9
2021
Statut:
ppublish
Résumé
A density matrix renormalization group-self consistent field (DMRG-SCF) study has been carried out to calculate the low-lying excited states of CpMo(CO)
Identifiants
pubmed: 34495578
doi: 10.1002/cphc.202100549
pmc: PMC9292996
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
2371-2377Subventions
Organisme : Schrödinger Fellowship
ID : J 3935-N34
Informations de copyright
© 2021 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
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