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
  • [31] Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study
    Jiang, M.
    Pickett, W. E.
    Scalettar, R. T.
    PHYSICAL REVIEW B, 2013, 87 (16)
  • [32] Cost-effective multi-determinant expansion in quantum Monte Carlo for excited states
    Flores, Sergio Pineda
    Neuscamman, Eric
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [33] How Important is Orbital Choice in Single-Determinant Diffusion Quantum Monte Carlo Calculations?
    Per, Manolo C.
    Walker, Kelly A.
    Russo, Salvy P.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (07) : 2255 - 2259
  • [34] Superconductivity and nematic fluctuations in a model of doped FeSe monolayers: Determinant quantum Monte Carlo study
    Dumitrescu, Philipp T.
    Serbyn, Maksym
    Scalettar, Richard T.
    Vishwanath, Ashvin
    PHYSICAL REVIEW B, 2016, 94 (15)
  • [35] Determinant- and derivative-free quantum Monte Carlo within the stochastic representation of wavefunctions
    Bernheimer, Liam
    Atanasova, Hristiana
    Cohen, Guy
    REPORTS ON PROGRESS IN PHYSICS, 2024, 87 (11)
  • [36] FAST ALGORITHM FOR ONE-DIMENSIONAL QUANTUM MONTE-CARLO SIMULATIONS
    MARCU, M
    MULLER, J
    SCHMATZER, FK
    COMPUTER PHYSICS COMMUNICATIONS, 1987, 44 (1-2) : 63 - 71
  • [37] Fast and scalable quantum Monte Carlo simulations of electron-phonon models
    Cohen-Stead, Benjamin
    Bradley, Owen
    Miles, Cole
    Batrouni, George
    Scalettar, Richard
    Barros, Kipton
    PHYSICAL REVIEW E, 2022, 105 (06)
  • [38] QUANTUM MONTE-CARLO
    CEPERLEY, D
    ALDER, B
    SCIENCE, 1986, 231 (4738) : 555 - 560
  • [39] Quantum Monte Carlo methods
    Luechow, Arne
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2011, 1 (03) : 388 - 402
  • [40] QUANTUM MONTE CARLO SIMULATION
    Wang, Yazhen
    ANNALS OF APPLIED STATISTICS, 2011, 5 (2A): : 669 - 683