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Progress of Theoretical Physics

A Direct Evaluation Method of the Partition Function of Quantum Spin Systems

Shinji Kadowaki, A. Ueda

Published Feb 1, 1986• 7 citations
Publisher

Abstract

A simple Monte Carlo method to evaluate the partition function of quantum spin systems is proposed. The method is applied to the isotropic spin-1/2 Heisenberg system of one-dimension and excellent agreements are obtained with the numerically rigorous result of Bonner and Fisher.
DOI
10.1143/ptp.75.451

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A simple Monte Carlo high-temperature expansion method to evaluate the partition function of quantum spin systems which was proposed in the previous paper l) is improved so that all of the needed expansion-coefficients are obtained from interpolating points of less than ten with an interpolation formula. By this improvement, this method is applicable to the finite spin-systems of rather large spin size regardless of dimensionality of the system. As an example, the method is applied to the one-dimensional spin-l/2 isotropic Heisenberg ferromagnetic system.
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A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by kB{\mathit{k}}_{\mathit{B}}kB​=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.
We propose a new type of Monte Carlo approach in numerical studies of quantum systems. Introducing a probability function which determines whether a state in the vector space survives or not, we can evaluate expectation values of powers of the Hamiltonian from a small portion of the full vector space. This method is free from the negative sign problem because it is not based on importance sampling techniques. In this paper we describe our method and, in order to examine how effective it is, present numerical results on the 4x4, 6x6 and 8x8 Heisenberg spin one-half model. The results indicate that we can perform useful evaluations with limited computer resources. An attempt to estimate the lowest energy eigenvalue is also stated.