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Nonadiabatic dynamics: The SHARC approach

We review the Surface Hopping including ARbitrary Couplings (SHARC) approach for excited‐state nonadiabatic dynamics simulations. As a generalization of the popular surface hopping method, SHARC allows simulating the full‐dimensional dynamics of molecules including any type of coupling terms beyond...

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Detalles Bibliográficos
Publicado en:Wiley Interdiscip Rev Comput Mol Sci
Main Authors: Mai, Sebastian, Marquetand, Philipp, González, Leticia
Formato: Artigo
Idioma:Inglês
Publicado: Wiley Periodicals, Inc. 2018
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6220962/
https://ncbi.nlm.nih.gov/pubmed/30450129
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1370
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