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Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exa...

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Detalles Bibliográficos
Autores principales: Babbush, Ryan, Parkhill, John, Aspuru-Guzik, Alán
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3982527/
https://www.ncbi.nlm.nih.gov/pubmed/24790954
http://dx.doi.org/10.3389/fchem.2013.00026