Monte Carlo algorithm for free energy calculation.
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.
Department of Physics, Renmin University of China, 100872 Beijing, China.|Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices (Renmin University of China).
Sheng
S
Bi
Department of Physics, Renmin University of China, 100872 Beijing, China.|Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices (Renmin University of China).
Ning-Hua
NH
Tong
D000465:Algorithms; D019277:Entropy; D009010:Monte Carlo Method; D011336:Probability; D011789:Quantum Theory; D013696:Temperature