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Nonadiabatic dynamics in multidimensional complex potential energy surfaces

Despite the continuous development of theoretical methodologies for describing nonadiabatic dynamics of molecular systems, there is a lack of approaches for processes where the norm of the wave function is not conserved, i.e., when an imaginary potential accounts for some irreversible decaying mecha...

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Detalles Bibliográficos
Autores principales: Kossoski, Fábris, Barbatti, Mario
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162122/
https://www.ncbi.nlm.nih.gov/pubmed/34094243
http://dx.doi.org/10.1039/d0sc04197a

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