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arXiv · 2403.08642

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

Yi-Ming Ding·Jun-Song Sun·Nvsen Ma·Gaopei Pan·Chen Cheng·Zheng Yan
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Abstract

Efficient and accurate algorithm 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 sub-leading coefficient of the entropy. This method can be widely used in both classical and quantum Monte Carlo simulations and is easy to be parallelized on computer.

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Yi-Ming Ding, Jun-Song Sun, Nvsen Ma, Gaopei Pan, Chen Cheng, Zheng Yan. 2024-03-13. Reweight-annealing method for evaluating the partition function via quantum Monte Carlo calculations. https://doi.org/10.1103/physrevb.110.165152

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