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Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Transfer matrix for the restricted canonical and microcanonical ensembles

Rick J. Creswick

Published Dec 1, 1995• 39 citations
Publisher

Abstract

The numerical transfer matrix for the partition function of discrete lattice models is generalized to allow the calculation of the density of states \ensuremath{\Omega}(E), and the restricted density of states \ensuremath{\Omega}(E,M). Given \ensuremath{\Omega}(E,M) the partition function is expressed as a polynomial in the variables x=${\mathit{e}}^{\mathrm{\ensuremath{\beta}}\mathit{h}}$ and y=${\mathit{e}}^{\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\beta}}}$. These algorithms are illustrated with calculations for the Ising model on finite square lattices. The zeros of the partition function are examined in both the complex x and y planes. Finite size scaling analysis of the zeros leads to very accurate estimates for the critical temperature and critical exponents.

DOI
10.1103/physreve.52.r5735

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Journal of Physics Conference Series•Feb 8, 2013•1 citation
The numerical transfer matrix for the partition function of discrete lattice models is generalized to allow the calculation of the density of states \ensuremath{\Omega}(E), and the restricted density of states \ensuremath{\Omega}(E,M). Given \ensuremath{\Omega}(E,M) the partition function is expressed as a polynomial in the variables x=e\ensuremathβh{\mathit{e}}^{\mathrm{\ensuremath{\beta}}\mathit{h}}e\ensuremathβh and y=e\ensuremath−\ensuremathβ{\mathit{e}}^{\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\beta}}}e\ensuremath−\ensuremathβ. These algorithms are illustrated with calculations for the Ising model on finite square lattices. The zeros of the partition function are examined in both the complex x and y planes. Finite size scaling analysis of the zeros leads to very accurate estimates for the critical temperature and critical exponents.
The microcanonical transfer matrix and its extensions offer a new way of obtaining exact partition functions on finite two dimensional lattices. We show the density of the partition function zeros in the complex x- plane for the Ising model at y=ycy=y_cy=yc​ and y=0.5ycy=0.5y_cy=0.5yc​, and the density of the partition function zeros in the complex y-plane for the three-state Potts model.
The microcanonical transfer matrix is used to evaluate the exact integer values for the number of states $\ensuremath{\Omega}(E,M)$, as a function of energy EEE and magnetization MMM, of the Ising model in an external magnetic field HHH on $L\ifmmode\times\else\texttimes\fi{}2L$ honeycomb lattices (L=6,8,…,14)(L=6,8,\dots{},14)(L=6,8,…,14) and (due to memory limitations) the exact real values for $\overline{\ensuremath{\Omega}}(a,M)={\ensuremath{\sum}}_{E}\ensuremath{\Omega}(E,M){a}^{E}$ (L=16,…,22)(L=16,\dots{},22)(L=16,…,22), where $a={e}^{2\ensuremath{\beta}J}$. Given $\ensuremath{\Omega}(E,M)$ or $\overline{\ensuremath{\Omega}}(a,M)$, the exact partition functions $Z(a,x)={\ensuremath{\sum}}_{E,M}\ensuremath{\Omega}(E,M){a}^{E}{x}^{M}={\ensuremath{\sum}}_{M}\overline{\ensuremath{\Omega}}(a,M){x}^{M}$, where $x={e}^{\ensuremath{-}2\ensuremath{\beta}H}$, are obtained. From the exact partition functions, the precise distributions of the partition function zeros in the complex xxx plane of the honeycomb-lattice Ising antiferromagnet in a uniform external magnetic field, where the famous circle theorem for the partition function zeros of the Ising ferromagnet is not applicable, are determined. In addition, the critical points xcp(a){x}_{cp}(a)xcp​(a) and the magnetic scaling exponents yh(a){y}_{h}(a)yh​(a) of the honeycomb-lattice Ising antiferromagnet in a uniform magnetic field are estimated using its partition function zeros in the complex xxx plane. Our results for the critical points are also compared to those of the two different closed-form approximations.
The corrections to finite-size scaling in the critical two-point correlation function G(r) of 2D Ising model on a square lattice have been studied numerically by means of exact transfer-matrix algorithms. The systems of square geometry with periodic boundaries oriented either along <10> or along <11> direction have been considered, including up to 800 spins. The calculation of G(r) at a distance r equal to the half of the system size L shows the existence of an amplitude correction proportional to 1/L^2. A nontrivial correction proportional to 1/L^0.25 of a very small magnitude also has been detected in agreement with predictions of our recently developed GFD (grouping of Feynman diagrams) theory. A refined analysis of the recent MC data for 3D Ising, phi^4, and XY lattice models has been performed. It includes an analysis of the partition function zeros of 3D Ising model, an estimation of the correction-to-scaling exponent omega from the Binder cumulant data near criticality, as well as a study of the effective critical exponent eta and the effective amplitudes in the asymptotic expansion of susceptibility at the critical point. In all cases a refined analysis is consistent with our (GFD) asymptotic values of the critical exponents (nu=2/3, omega=1/2, eta=1/8 for 3D Ising model and omega=5/9 for 3D XY model), while the actually accepted "conventional" exponents are, in fact, effective exponents which are valid for approximation of the finite--size scaling behavior of not too large systems.
The numbers of states up to L=12L=12L=12 for the three-state Potts model and up to L=10L=10L=10 for the four-state Potts model on $L\ifmmode\times\else\texttimes\fi{}L$ square lattice with self-dual boundary condition are enumerated using the microcanonical transfer matrix exploiting the permutation symmetry of the model. From these numbers of states, the densities of the Fisher zeros $g(\ensuremath{\theta})$ of the partition function in the complex $u=(1+(Q\ensuremath{-}1){e}^{\ensuremath{-}\ensuremath{\beta}J})∕\sqrt{Q}$ plane are determined for the zeros on the unit circle ${u}_{0}={e}^{i\ensuremath{\theta}}$. For small $\ensuremath{\theta}$ the density of zeros obeys the finite-size scaling, allowing us to estimate the order parameter and the thermal exponent.
The corrections to finite-size scaling in the critical two-point correlation function G(r) of 2D Ising model on a square lattice have been studied numerically by means of exact transfer-matrix algorithms. The systems have been considered, including up to 800 spins. The calculation of G(r) at a distance r equal to the half of the system size L shows the existence of an amplitude correction proportional to 1/L^2. A nontrivial correction ~1/L^0.25 of a very small magnitude also has been detected, as it can be expected from our recently developed GFD (grouping of Feynman diagrams) theory. Monte Carlo simulations of the squared magnetization of 3D Ising model have been performed by Wolff's algorithm in the range of the reduced temperatures t =< 0.000086 and system sizes L =< 410. The effective critical exponent beta_eff(t) tends to increase above the currently accepted numerical values. The critical coupling K_c=0.22165386(51) has been extracted from the Binder cumulant data within 96 =< L =< 384. The critical exponent 1/nu, estimated from the finite-size scaling of the derivatives of the Binder cumulant, tends to decrease slightly below the RG value 1.587 for the largest system sizes. The finite-size scaling of accurately simulated maximal values of the specific heat C_v in 3D Ising model confirms a logarithmic rather than power-like critical singularity of C_v.