Reweight-annealing method for evaluating the partition function via quantum Monte Carlo calculations

Efficient and accurate algorithms for partition function, free energy, and thermal entropy calculations is of great significance in statistical physics and quantum many-body physics. Here we present an unbiased but low-technical-barrier algorithm within the quantum Monte Carlo framework, which has exceptionally high accuracy and no systemic error. Compared with the conventional specific heat integral method and Wang-Landau sampling algorithm, our method can obtain a much more accurate result of the subleading coefficient of the entropy consistent with theory. This method can be widely used in both classical and quantum Monte Carlo simulations and is easy to be parallelized on a computer.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2024-10-22
DOI
https://doi.org/10.1103/physrevb.110.165152
Citations
8
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
2.70

Funders

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article

Reweight-annealing method for evaluating the partition function via quantum Monte Carlo calculations

Gaopei Pan, Junsong Sun, Nvsen Ma, Zheng Yan et al.
8 citations
Physical review. B./Physical review. B
Quantum many-body systems
2.70
article

Reweight-annealing method for evaluating the partition function via quantum Monte Carlo calculations

Gaopei Pan, Junsong Sun, Nvsen Ma, Zheng Yan, Chen Cheng, Yi-Ming Ding
article en
8 citations

Abstract

Efficient and accurate algorithms for partition function, free energy, and thermal entropy calculations is of great significance in statistical physics and quantum many-body physics. Here we present an unbiased but low-technical-barrier algorithm within the quantum Monte Carlo framework, which has exceptionally high accuracy and no systemic error. Compared with the conventional specific heat integral method and Wang-Landau sampling algorithm, our method can obtain a much more accurate result of the subleading coefficient of the entropy consistent with theory. This method can be widely used in both classical and quantum Monte Carlo simulations and is easy to be parallelized on a computer.

Physical review. B./Physical review. BVol. 110(16)
Fudan University (CN), University of Würzburg (DE), Westlake University (CN), Institute for Advanced Study (DE), State Key Laboratory of Surface Physics, Lanzhou University (CN), Beihang University (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 9%
Quantum many-body systems
2.70
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