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Decoherence and Its Role in Electronically Nonadiabatic Dynamics

[Image: see text] Decoherence is the tendency of a time-evolved reduced density matrix for a subsystem to assume a form corresponding to a statistical ensemble of states rather than a coherent combination of pure-state wave functions. When a molecular process involves changes in the electronic state...

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Detalles Bibliográficos
Autores principales: Shu, Yinan, Truhlar, Donald G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878713/
https://www.ncbi.nlm.nih.gov/pubmed/36622843
http://dx.doi.org/10.1021/acs.jctc.2c00988

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