Off-diagonal expansion quantum Monte Carlo

Tameem Albash, Gene Wagenbreth, and Itay Hen
Phys. Rev. E 96, 063309 – Published 20 December 2017

Abstract

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from “fully quantum” to “fully classical,” in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

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  • Received 17 January 2017
  • Revised 6 November 2017

DOI:https://doi.org/10.1103/PhysRevE.96.063309

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsQuantum Information, Science & TechnologyStatistical Physics & Thermodynamics

Authors & Affiliations

Tameem Albash1,2, Gene Wagenbreth3, and Itay Hen1,2,*

  • 1Information Sciences Institute, University of Southern California, Marina del Rey, California 90292, USA
  • 2Department of Physics and Astronomy and Center for Quantum Information Science & Technology, University of Southern California, Los Angeles, California 90089, USA
  • 3Cray, Seattle, Washington 98164, USA

  • *itayhen@isi.edu

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Issue

Vol. 96, Iss. 6 — December 2017

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