Overcoming the fermion sign problem in homogeneous systems

DOI10.1142/9789813209428_0013MaRDI QIDQ3133549zbMATH OpenOpenAlexFDO

Authors Jonathan L. Dubois, Ethan W. Brown, Berni J. Alder

Publication date 2 February 2018

Published in Advances in the Computational Sciences (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1409.3262

zbMATH Keywords

many-body Fermi statisticspath integral Monte Carlo

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Path integrals in quantum mechanics (81S40) Many-body theory; quantum Hall effect (81V70)

Abstract: Explicit treatment of many-body Fermi statistics in path integral Monte Carlo (PIMC) results in exponentially scaling computational cost due to the near cancellation of contributions to observables from even and odd permutations. Through direct analysis of exchange statistics we find that individual exchange probabilities in homogeneous systems are, except for finite size effects, independent of the configuration of other permutations present. For two representative systems, 3-He and the homogeneous electron gas, we show that this allows the entire antisymmetrized density matrix to be generated from a simple model depending on only a few parameters obtainable directly from a standard PIMC simulation. The result is a polynomial scaling algorithm and up to a 10 order of magnitude increase in efficiency in measuring fermionic observables for the systems considered.

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