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Journal of the Korean Physical Society

Estimating the partition function zeros by using the Wang-Landau Monte Carlo algorithm

Seung‐Yeon Kim

Published Mar 1, 2017• 4 citations
Publisher

Abstract

The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω( E ) as a function of the energy E . Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω( E ). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice ( L = 10 ~ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H ( E ).

DOI
10.3938/jkps.70.561

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The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω( E ) as a function of the energy E . Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω( E ). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice ( L = 10 ~ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H ( E ).
Phase transitions and critical phenomena are the most universal phenomena in nature.To understand the phase transitions and critical phenomena of a given system as a continuous function of temperature and to obtain the partition function zeros in the complex temperature plane indicating most effectively phase transitions and critical phenomena, we need to calculate the density of states.Currently, Wang-Landau Monte Carlo algorithm is one of the most efficient Monte Carlo methods to calculate the approximate density of states.Using Wang-Landau Monte Carlo algorithm, the density of states for the Ising model on L x L square lattices (L = 4 ~ 32) with periodic boundary conditions is obtained, and the partition function zeros of the Ising model are evaluated in the complex temperature plane.By examining the behavior of the first partition function zero (partition function zero closest to the positive real axis), phase transitions and critical phenomena can be much more accurately analyzed.The approximate first zeros of the Ising ferromagnet, obtained from Wang-Landau algorithm, are quite close to the exact ones, indicating that it is a reliable method for calculating the density of states and the first partition function zeros.
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.
We present a simple method to estimate the central charge of the conformal field theory corresponding to a critical point of a two-dimensional lattice model from Monte Carlo simulations. The main idea is to use the Wang-Landau flat-histogram algorithm, which allows us to obtain the free energy of a lattice model on a torus as a function of torus radii. The central charge is calculated with good precision from a free-energy scaling at the critical point. We apply the method to the Ising, tricritical Ising (Blume-Capel), Potts, and site-diluted Ising models, and we also discuss an estimation of the conformal weights.
We study the interface tension of the 4-state Potts model in three dimensions using the Wang- Landau algorithm. The interface tension is given by the ratio of the partition function with a twisted boundary condition in one direction and periodic boundary conditions in all other directions over the partition function with periodic boundary conditions in all directions. With the Wang-Landau algorithm we can explicitly calculate both partition functions and obtain the result for all temperatures. We find solid numerical evidence for perfect wetting. Our algorithm is tested by calculating thermodynamic quantities at the phase transition point.
The exact integer values for the density of states of the Ising model on an L×L square lattice with self-dual boundary conditions are evaluated up to L = 22 for the first time by counting all possible spin states (enormous 2 485 ≈ 10 146 states for L = 22). The exact partition function zeros in the complex temperature plane, very sensitive indicators for phase transitions and critical phenomena, are obtained by using the density of states. From the behavior of the partition function zeros, the shift exponent λ of the square-lattice Ising model with self-dual boundary conditions is accurately and precisely estimated to be λ = 2.0000000(2), clearly indicating λ = 2.
We investigate the partition function zeros of the two-dimensional p-state clock model in the complex temperature plane by using the Wang-Landau method. For p=5, 6, 8, and 10, we propose a modified energy representation to enumerate exact irregular energy levels for the density of states without any binning artifacts. Comparing the leading zeros between different p's, we provide strong evidence that the upper transition at p=6 is indeed of the Berezinskii-Kosterlitz-Thouless (BKT) type in contrast to the claim of the previous Fisher zero study [Phys. Rev. E 80, 042103 (2009)10.1103/PhysRevE.80.042103]. We find that the leading zeros of p=6 at the upper transition collapse onto the zero trajectories of the larger p's including the XY limit while the finite-size behavior of p=5 differs from the converged behavior of p≥6 within the system sizes examined. In addition, we argue that the nondivergent specific heat in the BKT transition is responsible for the small partition function magnitude that decreases exponentially with increasing system size near the leading zero, fundamentally limiting access to large systems in search for zeros with an estimator under finite statistical fluctuations.