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

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

Yi-Ming Ding
(
- Fudan U. and
- Fudan U., Surf. Phys. Lab. and
- Hangzhou Normal U. and
- HIAS, UCAS, Hangzhou
)
,
Jun-Song Sun
(
- Beihang U.
)
,
Nvsen Ma
(
- Beihang U.
)
,
Gaopei Pan
(
- Wurzburg U.
)
,
Chen Cheng
(
- Lanzhou U. (main) and
- Lanzhou U.
)

Mar 13, 2024

10 pages

Published in:

Phys.Rev.B 110 (2024) 16, 165152

Published: Oct 15, 2024

e-Print:

2403.08642 [cond-mat.stat-mech]

DOI:

10.1103/PhysRevB.110.165152 (publication)

View in:

ADS Abstract Service

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Abstract: (APS)

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.

Note:

10 pages, 7 figures

Monte Carlo: quantum
numerical calculations: Monte Carlo
partition function
entropy
specific heat
exceptional
free energy
many-body problem
thermal
computer

References(82)

Figures(7)

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