Probing the sensitivity of ab initio multiple spawning to its parameters

Full multiple spawning (FMS) offers a strategy to simulate the nonadiabatic dynamics of molecular systems by describing their nuclear wavefunctions by a linear combination of coupled trajectory basis functions (TBFs). Applying a series of controlled approximations to the full multiple spawning (FMS)...

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Detalles Bibliográficos
Autores principales: Lassmann, Yorick, Curchod, Basile F. E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10382418/
https://www.ncbi.nlm.nih.gov/pubmed/37520272
http://dx.doi.org/10.1007/s00214-023-03004-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10382418/
https://www.ncbi.nlm.nih.gov/pubmed/37520272
http://dx.doi.org/10.1007/s00214-023-03004-w

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