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Journal of Physics A Mathematical and General

Microcanonical simulations with a large number of demons

Christophe Dress

Published Dec 21, 1995• 11 citations
Publisher

Abstract

We generalize the microcanonical algorithm developed by Creutz et al. (1986), and make a detailed comparison with the exact solution in the case of a two-dimensional Ising model at finite volume. We present a new numerical method to compute the temperature in the microcanonical ensemble. This allows us to define a `thermalization` criterion to estimate the point where the differences between canonical and microcanonical results are the smallest. This criterion is shown to work well in the case of the two-dimensional Ising system.

DOI
10.1088/0305-4470/28/24/006

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We generalize the microcanonical algorithm developed by Creutz et al. (1986), and make a detailed comparison with the exact solution in the case of a two-dimensional Ising model at finite volume. We present a new numerical method to compute the temperature in the microcanonical ensemble. This allows us to define a thermalization criterion to estimate the point where the differences between canonical and microcanonical results are the smallest. This criterion is shown to work well in the case of the two-dimensional Ising system.
We report the results of a microcanonical simulation of the two- and three-dimensional Ising models at criticality. We also present a microcanonical algorithm that allows a simultaneous simulation of a lattice spin system at different energies, in our case the number of different energies is 32. The critical behavior of the systems was studied via a recently proposed microcanonical renormalization-group technique that yields independent estimates for the critical energy and the critical temperature, as well as for three critical exponents providing a direct test of hyperscaling. Our results in two dimensions are in good agreement with exact results. In the three dimensions our quoted values are consistent with Monte Carlo estimates recently reported in the literature. We obtain uc{\mathit{u}}_{\mathit{c}}uc​=-0.991(1), Tc{\mathit{T}}_{\mathit{c}}Tc​=4.5112(3), \ensuremath{\beta}/\ensuremath{\nu}=0.541(1), \ensuremath{\nu}=0.630(3), and \ensuremath{\alpha}=0.109(1).
A microcanonical finite-size ansatz in terms of quantities measurable in a finite lattice allows extending phenomenological renormalization (the so-called quotients method) to the microcanonical ensemble. The ansatz is tested numerically in two models where the canonical specific heat diverges at criticality, thus implying Fisher renormalization of the critical exponents: the three-dimensional ferromagnetic Ising model and the two-dimensional four-state Potts model (where large logarithmic corrections are known to occur in the canonical ensemble). A recently proposed microcanonical cluster method allows simulating systems as large as L=1024 (Potts) or L=128 (Ising). The quotients method provides accurate determinations of the anomalous dimension, eta, and of the (Fisher-renormalized) thermal nu exponent. While in the Ising model the numerical agreement with our theoretical expectations is very good, in the Potts case, we need to carefully incorporate logarithmic corrections to the microcanonical ansatz in order to rationalize our data.
We show how to generalize the zero-temperature Lanczos method for calculating dynamical correlation functions to finite temperatures. The key is the microcanonical ensemble which allows us to replace the involved canonical ensemble with a single appropriately chosen state; in the thermodynamic limit it provides the same physics as the canonical ensemble but with the evaluation of a single expectation value. We can employ the same system sizes as for zero temperature but, whereas the statistical fluctuations present in small systems are prohibitive, the spectra of the largest system sizes are surprisingly smooth. We investigate, as a test case, the spin conductivity of the spin-1/2 anisotropic Heisenberg model and in particular we present a comparison of spectra obtained by the canonical and microcanonical ensemble methods.
Abstract The continuous ferromagnetic-paramagnetic phase transition in the two-dimensional Ising model has already been excessively studied by conventional canonical statistical analysis in the past. We use the recently developed generalized microcanonical inflection-point analysis method to investigate the least-sensitive inflection points of the microcanonical entropy and its derivatives to identify transition signals. Surprisingly, this method reveals that there are potentially two additional transitions for the Ising system besides the critical transition.
We investigate how the temperature calculated from the microcanonical entropy compares with the canonical temperature for finite isolated quantum systems. We concentrate on systems with sizes that make them accessible to numerical exact diagonalization. We thus characterize the deviations from ensemble equivalence at finite sizes. We describe multiple ways to compute the microcanonical entropy and present numerical results for the entropy and temperature computed in these various ways. We show that using an energy window whose width has a particular energy dependence results in a temperature with minimal deviations from the canonical temperature.