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Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics

[Image: see text] This paper proposes a method to simulate nonadiabatic dynamics initiated by thermal light, including solar radiation, in the frame of mixed quantum-classical (MQC) methods, like surface hopping. The method is based on the Chenu–Brumer approach, which treats the thermal radiation as...

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Vydáno v:J Chem Theory Comput
Hlavní autor: Barbatti, Mario
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2020
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7426902/
https://ncbi.nlm.nih.gov/pubmed/32579345
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00501
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