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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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| Udgivet i: | J Chem Theory Comput |
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| Hovedforfatter: | |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2020
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| Online adgang: | 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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