Fast and stable determinant quantum Monte Carlo

被引:3
|
作者
Bauer, Carsten [1 ]
机构
[1] Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany
来源
SCIPOST PHYSICS CORE | 2020年 / 2卷 / 02期
关键词
D O I
10.21468/SciPostPhysCore.2.2.011
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We assess numerical stabilization methods employed in fermion many-body quantum Monte Carlo simulations. In particular, we empirically compare various matrix decomposition and inversion schemes to gain control over numerical instabilities arising in the computation of equal-time and time-displaced Green's functions within the determinant quantum Monte Carlo (DQMC) framework. Based on this comparison, we identify a procedure based on pivoted QR decompositions which is both efficient and accurate to machine precision. The Julia programming language is used for the assessment and implementations of all discussed algorithms are provided in the open-source software library StableDQMC.jl. Copyright C. Bauer.
引用
收藏
页数:19
相关论文
共 50 条
  • [1] A fast and efficient algorithm for Slater determinant updates in quantum Monte Carlo simulations
    Nukala, Phani K. V. V.
    Kent, P. R. C.
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (20):
  • [2] Recent advances in determinant quantum Monte Carlo
    Chang, Chia-Chen
    Gogolenko, Sergiy
    Perez, Jeffrey
    Bai, Zhaojun
    Scalettar, Richard T.
    PHILOSOPHICAL MAGAZINE, 2015, 95 (12) : 1260 - 1281
  • [3] Delay update in determinant quantum Monte Carlo
    Sun, Fanjie
    Xu, Xiao Yan
    PHYSICAL REVIEW B, 2024, 109 (23)
  • [4] Fast quantum Monte Carlo on a GPU
    Lutsyshyn, Y.
    COMPUTER PHYSICS COMMUNICATIONS, 2015, 187 : 162 - 174
  • [5] Fast quantum Monte Carlo on a GPU
    Institut für Physik, Universität Rostock, Rostock
    18051, Germany
    Comput Phys Commun, 1600, (162-174):
  • [6] Optimization of Large Determinant Expansions in Quantum Monte Carlo
    Ammar, Abdallah
    Giner, Emmanuel
    Scemama, Anthony
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 18 (09) : 5325 - 5336
  • [7] Fast and accurate quantum Monte Carlo for molecular crystals
    Zen, Andrea
    Brandenburg, Jan Gerit
    Klimes, Jiri
    Tkatchenko, Alexandre
    Alfe, Dario
    Michaelides, Angelos
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2018, 115 (08) : 1724 - 1729
  • [8] Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model
    Zhang, Lufeng
    Ma, Tianxing
    Costa, Natanael C.
    dos Santos, Raimundo R.
    Scalettar, Richard T.
    PHYSICAL REVIEW B, 2019, 99 (19)
  • [9] Sampling electronic fock states using determinant quantum Monte Carlo
    Ding, Shuhan
    Li, Shaozhi
    Wang, Yao
    COMMUNICATIONS PHYSICS, 2025, 8 (01):
  • [10] Numerical stability and the sign problem in the determinant quantum Monte Carlo method
    Loh, EY
    Gubernatis, JE
    Scalettar, RT
    White, SR
    Scalapino, DJ
    Sugar, RL
    INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2005, 16 (08): : 1319 - 1327