Transition-Matrix Monte Carlo Method for Quantum Systems

DOI10.1143/JPSJ.73.1728MaRDI QIDQ3159793zbMATH OpenFDO

Authors Chiaki Yamaguchi, Yutaka Okabe, Naoki Kawashima

Publication date 16 February 2005

Published in Journal of the Physical Society of Japan (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0312645

zbMATH Keywords

extended ensemble methodfree energyloop algorithmMonte Carlo methodquantum lattice model

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Software, source code, etc. for problems pertaining to quantum theory (81-04) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

Abstract: We propose an efficient method for Monte Carlo simulation of quantum lattice models. Unlike most other quantum Monte Carlo methods, a single run of the proposed method yields the free energy and the entropy with high precision for the whole range of temperature. The method is based on several recent findings in Monte Carlo techniques, such as the loop algorithm and the transition matrix Monte Carlo method. In particular, we derive an exact relation between the DOS and the expectation value of the transition probability for quantum systems, which turns out to be useful in reducing the statistical errors in various estimates.

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