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Fermion sign bounds theory in quantum Monte Carlo simulation

Strongly Correlated Electrons 2022-07-20 v2 Statistical Mechanics High Energy Physics - Lattice High Energy Physics - Theory

Abstract

Sign problem in fermion quantum Monte Carlo (QMC) simulation appears to be an extremely hard problem. Traditional lore passing around for years tells people that when there is a sign problem, the average sign in QMC simulation approaches zero exponentially fast with the space-time volume of the configurational space. We, however, analytically show this is not always the case and manage to find physical bounds for the average sign. Our understanding is based on a direct connection between the sign bounds and a well-defined partition function of reference system and could distinguish when the bounds have the usual exponential scaling, and when they are bestowed on an algebraic scaling at low temperature limit. We analytically explain such algebraic sign problems found in flat band moir\'e lattice models at low temperature limit. At finite temperature, a domain size argument based on sign bounds also explains the connection between sign behavior and finite temperature phase transition. Sign bounds, as a well-defined observable, may have ability to ease or even make use of the sign problem.

Keywords

Cite

@article{arxiv.2112.06139,
  title  = {Fermion sign bounds theory in quantum Monte Carlo simulation},
  author = {Xu Zhang and Gaopei Pan and Xiao Yan Xu and Zi Yang Meng},
  journal= {arXiv preprint arXiv:2112.06139},
  year   = {2022}
}

Comments

11 pages, 3 figures