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The Sign Problem in Density Matrix Quantum Monte Carlo

[Image: see text] Density matrix quantum Monte Carlo (DMQMC) is a recently developed method for stochastically sampling the N-particle thermal density matrix to obtain exact-on-average energies for model and ab initio systems. We report a systematic numerical study of the sign problem in DMQMC based...

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Detalles Bibliográficos
Autores principales: Petras, Hayley R., Van Benschoten, William Z., Ramadugu, Sai Kumar, Shepherd, James J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515812/
https://www.ncbi.nlm.nih.gov/pubmed/34546738
http://dx.doi.org/10.1021/acs.jctc.1c00078