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Journal of the Physical Society of Japan

Transfer-Matrix Monte Carlo Method –A Practical Solution for the Negative Sign Problem–

Seiji Miyashita

Published Jul 15, 1994• 12 citations
Publisher

Abstract

An idea to overcome the negative sign problem in the quantum Monte Carlo method, using the world line update is proposed and demonstrated in an antiferromagnetic Heisenberg model ( s =1/2) on the Δ chain.
DOI
10.1143/jpsj.63.2449

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When one tries to simulate quantum spin systems by the Monte Carlo method, often the ``minus-sign problem'' is encountered. In such a case, an application of probabilistic methods is not possible. In this paper, the method has been proposed which allows to avoid the minus-sign problem for certain class of frustrated Heisenberg models. The systems where this method is applicable are, for instance, the pyrochlore lattice and the ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model. The method works in singlet sector. It relies on the expression of wave functions in dimer (pseudo)basis and writing down the Hamiltonian as a sum over plaquettes. In such a formulation, matrix elements of the exponent of Hamiltonian are positive.
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A quantum Monte Carlo method combining update of the loop algorithm with the global flip of the world line is proposed as an efficient method to study the magnetization process in an external field, which has been difficult because of inefficiency of the update of the total magnetization. The method is demonstrated in the one dimensional antiferromagnetic Heisenberg model and the trimer model. We attempted various other Monte Carlo algorithms to study systems in the external field and compared their efficiency.
The Quantum Transfer Matrix and Its Application to Quantum Spin Chains (K Kubo) Transfer Matrices in Quantum Many-Body Systems (T Koma) Monte Carlo Calculations of Elementary Excitation (M Takahashi) The Decoupled Cell Method of Quantum Monte Carlo Calculation (S Homma) Decoupled Cell Monte Carlo Study of the Critical Properties of the Spin-1/2 Ferromagnetic Heisenberg Model in Three Dimensions (R J Creswick & C J Sisson) Variational Monte Carlo Studies of Correlated Electrons (H Shiba) Quantum Monte Carlo Simulation of Multiband Fermion Systems and Its Application to Superconductivity (K Kuroki & H Aoki) Quantum Monte Carlo in the Infinite Dimensional Limit (M Jarrell et al) Aspects of the Sign Problem (J H Samson) Ground-State Projection Using Auxiliary Fields (S Fahy) Fermion Simulations of Correlated Systems (M Imada) Dirty Bosons in 2D: Phases and Phase Transitions (N Trivedi & M Makivi'c). (Part Contents).
We propose a new method for quantum Monte Carlo simulations with the negative-sign problem. In the conventional method, one simulates a virtual system whose Boltzmann factors are the absolute values of the original one, and analyzes the data so that the correct expression for physical quantities may be recovered. We simulate a different virtual system with properties closer to the original system and yet without the negative-sign problem. Comparison between the present method and the conventional one is made for the antiferromagnetic Heisenberg model on the 4×h4 square lattice with frustrations ( J 1 - J 2 model). We conclude that the present method is useful in the low-temperature region where the negative-sign problem becomes serious. It is also shown that the method is considerably efficient on the point that quantities for different parameters can be obtained in a single run.