A fast and robust trajectory surface hopping method: Application to the intermolecular photodissociation of a carbon dioxide dimer cation (CO
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:
28 Apr 2021
28 Apr 2021
Historique:
entrez:
4
5
2021
pubmed:
5
5
2021
medline:
5
5
2021
Statut:
ppublish
Résumé
Our recently developed trajectory surface hopping method uses numerical time derivatives of adiabatic potential gradients to estimate the nonadiabatic transition probability and the hopping direction. To demonstrate the practicality of the novel method, we applied it to the intermolecular photodissociation of a carbon dioxide dimer cation (CO
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM