Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework

[Image: see text] We present an implementation of the Frenkel exciton model in the framework of the semiempirical floating occupation molecular orbitals-configuration interaction (FOMO-CI) electronic structure method, aimed at simulating the dynamics of multichromophoric systems, in which excitation...

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Detalles Bibliográficos
Autores principales: Gil, Eduarda Sangiogo, Granucci, Giovanni, Persico, Maurizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8675141/
https://www.ncbi.nlm.nih.gov/pubmed/34843643
http://dx.doi.org/10.1021/acs.jctc.1c00942

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8675141/
https://www.ncbi.nlm.nih.gov/pubmed/34843643
http://dx.doi.org/10.1021/acs.jctc.1c00942

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