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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...
Autores principales: | Petras, Hayley R., Van Benschoten, William Z., Ramadugu, Sai Kumar, Shepherd, James J. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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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 |
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