English

Deconvolving the components of the sign problem

Strongly Correlated Electrons 2022-01-19 v2

Abstract

Auxiliary field Quantum Monte Carlo simulations of interacting fermions require sampling over a Hubbard-Stratonovich field hh introduced to decouple the interactions. The weight for a given configuration involves the products of the determinant of matrices Mσ(h)M_\sigma(h), where σ\sigma labels the species, and hence is typically not positive definite. Indeed, the average sign S\langle {\cal S} \rangle of the determinants goes to zero exponentially with increasing spatial size and decreasing temperature for most Hamiltonians of interest. This statement, however, does not explicitly separate two possible origins for the vanishing of S\langle {\cal S} \rangle. Does S0\langle {\cal S} \rangle \rightarrow 0 because {\it randomly} chosen field configurations have det(M(h))<0{\rm det}\big(M(h)\big) < 0, or does the `sign problem' arise because the specific subset of configurations chosen by the weighting function have a greater preponderance of negative values? In the latter case, the process of weighting the configurations with det(M(h))|{\rm det}\big(M(h)\big)| might steer the simulation to a region of configuration space of hh where positive and negative determinants are equally likely, even though randomly chosen hh would preferentially have determinants with a single dominant sign. In this paper we address the relative importance of these two mechanisms for the vanishing of S\langle {\cal S} \rangle in quantum simulations.

Keywords

Cite

@article{arxiv.2108.00553,
  title  = {Deconvolving the components of the sign problem},
  author = {S. Tarat and Bo Xiao and R. Mondaini and R. T. Scalettar},
  journal= {arXiv preprint arXiv:2108.00553},
  year   = {2022}
}

Comments

14 pages, 17 figures, Title changed, several small modifications made in the text

R2 v1 2026-06-24T04:44:04.784Z