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...

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Detalles Bibliográficos
Autores principales: Cook, Lauren E., Runeson, Johan E., Richardson, Jeremy O., Hele, Timothy J. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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