Published June 20, 2024 | Version v1
Journal article

Delay update in determinant quantum Monte Carlo

  • 1. Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China
  • 2. Hefei National Laboratory, Hefei 230088, China

Description

Determinant quantum Monte Carlo (DQMC) is a widely used unbiased numerical method for simulating strongly correlated electron systems. However, the update process in DQMC is often a bottleneck for its efficiency. To address this issue, we propose a generalized delay update scheme that can handle both on-site and extended interactions. Our delay update scheme can be implemented in both zero-temperature and finite-temperature versions of DQMC. We apply the delay update scheme to various strongly correlated electron models and evaluate its efficiency under different conditions. Our results demonstrate that the proposed delay update scheme significantly improves the efficiency of DQMC simulations, enabling it to simulate larger system sizes.

Additional details

Identifiers

DOI
10.1103/PhysRevB.109.235140;
arXiv
arXiv:2308.12005;
Crossref Funder ID
10.13039/501100012166; 10.13039/501100001809; 10.13039/501100004921;

Publishing Information

Journal Title
Physical Review B
Journal Volume
109
Journal Issue
23
Journal Page Range
12 pgs.
ISSN
1550-235X

Optional Information

Copyright
©2024 American Physical Society
Contract/Grant/Project number
2022YFA1402702; 2021YFA1401400; 12274289
Notes
Contact Email: Contact author: xiaoyanxu@sjtu.edu.cn; Record automatically processed
Funding organization
National Key Research and Development Program of China; National Natural Science Foundation of China; Shanghai Jiao Tong University