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Exact Factorization Adventures: A Promising Approach for Non-Bound States

Modeling the dynamics of non-bound states in molecules requires an accurate description of how electronic motion affects nuclear motion and vice-versa. The exact factorization (XF) approach offers a unique perspective, in that it provides potentials that act on the nuclear subsystem or electronic su...

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Detalles Bibliográficos
Autores principales: Villaseco Arribas, Evaristo, Agostini, Federica, Maitra, Neepa T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9267945/
https://www.ncbi.nlm.nih.gov/pubmed/35807246
http://dx.doi.org/10.3390/molecules27134002