Reducing the complexity of finite-temperature auxiliary-field quantum Monte Carlo
Abstract
The auxiliary-field quantum Monte Carlo (AFMC) method is a powerful and widely used technique for ground-state and finite-temperature simulations of quantum many-body systems. We introduce several algorithmic improvements for finite-temperature AFMC calculations of dilute fermionic systems that reduce the computational complexity of most parts of the algorithm. This is principally achieved by reducing the number of single-particle states that contribute at each configuration of the auxiliary fields to a number that is of the order of the number of fermions. Our methods are applicable for both the canonical and grand-canonical ensembles. We demonstrate the reduced computational complexity of the methods for the homogeneous unitary Fermi gas.
Keywords
Cite
@article{arxiv.1907.10596,
title = {Reducing the complexity of finite-temperature auxiliary-field quantum Monte Carlo},
author = {C. N. Gilbreth and S. Jensen and Y. Alhassid},
journal= {arXiv preprint arXiv:1907.10596},
year = {2021}
}
Comments
11 pages, 7 figures, 1 table. Changed page layout and added additional figures, clarifications in the text, and an additional appendix with a derivation of a formula in the main text. The algorithm presented is unchanged