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What Controls the Quality of Photodynamical Simulations? Electronic Structure Versus Nonadiabatic Algorithm
[Image: see text] The field of nonadiabatic dynamics has matured over the last decade with a range of algorithms and electronic structure methods available at the moment. While the community currently focuses more on developing and benchmarking new nonadiabatic dynamics algorithms, the underlying el...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688183/ https://www.ncbi.nlm.nih.gov/pubmed/37939301 http://dx.doi.org/10.1021/acs.jctc.3c00908 |