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arXiv:cond-mat/0401482 · Physical Review E

Density of states determined from Monte Carlo simulations

J. Hove

Published Nov 19, 2004• 11 citations
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Abstract

We describe a method for calculating the density of states by combining several canonical Monte Carlo runs. We discuss how critical properties reveal themselves in g (epsilon) and demonstrate this by applying the method to several different phase transitions. We also demonstrate how this can used to calculate the conformal charge, where the dominating numerical method has traditionally been the transfer matrix.

DOI
10.1103/physreve.70.056707

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We describe a method for calculating the density of states by combining several canonical Monte Carlo runs. We discuss how critical properties reveal themselves in g (epsilon) and demonstrate this by applying the method to several different phase transitions. We also demonstrate how this can used to calculate the conformal charge, where the dominating numerical method has traditionally been the transfer matrix.
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We present and demonstrate an accurate, reliable, and computationally cheap method for the calculation of free energies in Monte Carlo simulations of lattice models. Even in the critical region it yields good results with comparatively short simulation runs. The method combines upper and lower bounds on the thermodynamic limit entropy density to yield not only an accurate estimate of the free energy but a bound on the possible error as well. The method is demonstrated on the two- and three-dimensional Ising models and the three-dimensional, three-states Potts model.
We present an alternative approach to the study of equilibrium properties in many-body quantum physics. Our method takes inspiration from density-matrix quantum Monte Carlo in dealing with the sign problem and incorporates additional features. First of all, the dynamics is transferred to the Laplace representation where an exact equation can be derived and solved using an evolution step that, unlike most Monte Carlo methods, is not a priori physically bounded. Moreover, the spawning events are formulated in terms of two-process stochastic unravellings of quantum master equations, a formalism that is particularly useful when working with density matrices. Last, our approach is perturbative in nature, with the free part being integrated exactly and, as such, the convergence is greatly accelerated when the interaction parameter is small. We benchmark our method by applying it to two case studies in condensed-matter physics, perform some ground-state calculations, show its accuracy, and further discuss its efficiency.
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.
We investigate a spin-3/2 Ising model on a square lattice by using Monte Carlo (MC) simulations and a density matrix renormalization group (DMRG) method. We obtain phase diagrams of the ground state. We carried out the MC simulations in order to calculate the critical temperature and the critical exponent η. We estimate the critical exponents ν, α and γ by using a finite size scaling analysis. We also calculate the critical temperature, the central charge c and the critical exponent ν by using the DMRG method. From the results obtained by the MC simulations and by the DMRG method, we discuss a universality class of the system. It is found that the values of critical exponents are determined by means of the degeneracy of the ground state. This result suggests that the universality does not hold for the spin-3/2 Ising model. Furthermore we find a possibility of a breakdown of the hyperscaling law. We also confirm that the ferrimagnetic phase exists in a parameter region where the ground state has a fourfold degeneracy, and that a transition between the ferrimagnetic phase and the ferromagnetic phase exists in addition to that between the ferromagnetic phase and the paramagnetic phase.
We present a new method for using the data from Monte Carlo simulations that can increase the efficiency by 2 or more orders of magnitude. A single Monte Carlo simulation is sufficient to obtain complete thermodynamic information over the entire scaling region near a phase transition. The accuracy of the method is demonstrated by comparison with exact results for the d=2 Ising model. New results for d=2 eight-state Potts model are also presented. The method is generally applicable to statistical models and lattice-gauge theories.