Monte Carlo algorithm for free energy calculation

Sheng Bi and Ning-Hua Tong
Phys. Rev. E 92, 013310 – Published 29 July 2015

Abstract

We propose a Monte Carlo algorithm for the free energy calculation based on configuration space sampling. An upward or downward temperature scan can be used to produce F(T). We implement this algorithm for the Ising model on a square lattice and triangular lattice. Comparison with the exact free energy shows an excellent agreement. We analyze the properties of this algorithm and compare it with the Wang-Landau algorithm, which samples in energy space. This method is applicable to general classical statistical models. The possibility of extending it to quantum systems is discussed.

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  • Received 28 October 2014
  • Revised 7 May 2015

DOI:https://doi.org/10.1103/PhysRevE.92.013310

©2015 American Physical Society

Authors & Affiliations

Sheng Bi1,2,* and Ning-Hua Tong1,2,†

  • 1Department of Physics, Renmin University of China, 100872 Beijing, China
  • 2Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices (Renmin University of China)

  • *ruc.bs.plu@hotmail.com
  • nhtong@ruc.edu.cn

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Issue

Vol. 92, Iss. 1 — July 2015

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