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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7426902/ https://www.ncbi.nlm.nih.gov/pubmed/32579345 http://dx.doi.org/10.1021/acs.jctc.0c00501 |