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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*
  • *此作品的通讯作者
  • Fudan University
  • Westlake University
  • Beihang University
  • University of Würzburg
  • Lanzhou University

科研成果: 期刊稿件文章同行评审

摘要

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.

源语言英语
文章编号165152
期刊Physical Review B
110
16
DOI
出版状态已出版 - 15 10月 2024

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