Monte Carlo algorithm for free energy calculation.

Phys Rev E Stat Nonlin Soft Matter Phys

Department of Physics, Renmin University of China, 100872 Beijing, China.

Published: July 2015

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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http://dx.doi.org/10.1103/PhysRevE.92.013310DOI Listing

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