Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase

[Image: see text] Constructing multistate model Hamiltonians from all-atom electronic structure calculations and molecular dynamics simulations is crucial for understanding charge and energy transfer dynamics in complex condensed phases. The most popular two-level system model is the spin-boson Hami...

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Detalles Bibliográficos
Autores principales: Liu, Zengkui, Hu, Haorui, Sun, Xiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601487/
https://www.ncbi.nlm.nih.gov/pubmed/37815937
http://dx.doi.org/10.1021/acs.jctc.3c00770

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601487/
https://www.ncbi.nlm.nih.gov/pubmed/37815937
http://dx.doi.org/10.1021/acs.jctc.3c00770

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