Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching

[Image: see text] Feynman’s imaginary time path integral formalism of quantum statistical mechanics and the corresponding quantum-classical isomorphism provide a tangible way of incorporating nuclear quantum effect (NQE) in the simulation of condensed matter systems using well-developed classical si...

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Detalles Bibliográficos
Autores principales: Ryu, Won Hee, Voth, Gregory A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9466601/
https://www.ncbi.nlm.nih.gov/pubmed/36007243
http://dx.doi.org/10.1021/acs.jpca.2c04349

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9466601/
https://www.ncbi.nlm.nih.gov/pubmed/36007243
http://dx.doi.org/10.1021/acs.jpca.2c04349

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