Restoring electronic coherence/decoherence for a trajectory-based nonadiabatic molecular dynamics

By utilizing the time-independent semiclassical phase integral, we obtained modified coupled time-dependent Schrödinger equations that restore coherences and induce decoherences within original simple trajectory-based nonadiabatic molecular dynamic algorithms. Nonadiabatic transition probabilities s...

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Detalles Bibliográficos
Autor principal: Zhu, Chaoyuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827081/
https://www.ncbi.nlm.nih.gov/pubmed/27063337
http://dx.doi.org/10.1038/srep24198

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827081/
https://www.ncbi.nlm.nih.gov/pubmed/27063337
http://dx.doi.org/10.1038/srep24198

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