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Which Algorithm Best Propagates the Meyer–Miller–Stock–Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics?
[Image: see text] A common strategy to simulate mixed quantum-classical dynamics is by propagating classical trajectories with mapping variables, often using the Meyer–Miller–Stock–Thoss (MMST) Hamiltonian or the related spin-mapping approach. When mapping the quantum subsystem, the coupled dynamics...
| 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/PMC10536990/ https://www.ncbi.nlm.nih.gov/pubmed/37704193 http://dx.doi.org/10.1021/acs.jctc.3c00709 |