Overcoming the fermion sign problem in homogeneous systems

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Publication:3133549

DOI10.1142/9789813209428_0013zbMATH Open1383.82027arXiv1409.3262OpenAlexW2963956556MaRDI QIDQ3133549FDOQ3133549

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

Publication date: 2 February 2018

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

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.


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




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