Single-momentum path integral Monte Carlo simulations of uniform electron gas in warm dense matter regime

被引:2
|
作者
Larkin, A. S. [1 ]
Filinov, V. S. [1 ]
Levashov, P. R. [2 ]
机构
[1] Joint Inst High Temp Russian Acad Sci, Dept Dusty Plasma 17, Moscow 125412, Russia
[2] Joint Inst High Temp Russian Acad Sci, Theoret Dept 7, Moscow 125412, Russia
基金
俄罗斯科学基金会;
关键词
COLLECTIVE DESCRIPTION; HYDROGEN; DWARFS;
D O I
10.1063/5.0072354
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
In this paper, the single-momentum path integral Monte Carlo method, previously developed for simple quantum systems and hydrogen plasma, is adapted to simulations of the uniform electron gas. The developed method is based on the combination of Wigner formalism and the path integral approach and is able to calculate various thermodynamic values and distribution functions without differentiation of the partition function. Since the exchange interaction between electrons is taken into account by the Gram determinants of the exchange matrix, the fermionic sign problem is reduced significantly, and in the case of coordinate-depending variables, is completely eliminated. The method was applied to study thermodynamic properties of the uniform electron gas in warm dense matter regime. Average kinetic, potential, and exchange-correlation energy were calculated in a wide range of states.
引用
收藏
页数:12
相关论文
共 50 条
  • [31] The static local field correction of the warm dense electron gas: An ab initio path integral Monte Carlo study and machine learning representation
    Dornheim, T.
    Vorberger, J.
    Groth, S.
    Hoffmann, N.
    Moldabekov, Zh. A.
    Bonitz, M.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (19):
  • [32] Ab initio quantum Monte Carlo simulation of the warm dense electron gas
    Dornheim, Tobias
    Groth, Simon
    Malone, Fionn D.
    Schoof, Tim
    Sjostrom, Travis
    Foulkes, W. M. C.
    Bonitz, Michael
    PHYSICS OF PLASMAS, 2017, 24 (05)
  • [33] Spatial correlations in the electron gas: Path integral Monte Carlo simulation
    Shevkunov, S. V.
    JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2006, 103 (01) : 92 - 109
  • [34] Spatial correlations in the electron gas: Path integral Monte Carlo simulation
    S. V. Shevkunov
    Journal of Experimental and Theoretical Physics, 2006, 103 : 92 - 109
  • [35] Ab initio path integral Monte Carlo approach to the static and dynamic density response of the uniform electron gas
    Groth, S.
    Dornheim, T.
    Vorberger, J.
    PHYSICAL REVIEW B, 2019, 99 (23)
  • [36] Path integral Monte Carlo and density functional molecular dynamics simulations of hot, dense helium
    Militzer, B.
    PHYSICAL REVIEW B, 2009, 79 (15)
  • [37] PATH-INTEGRAL MONTE-CARLO SIMULATIONS OF ELECTRON LOCALIZATION IN WATER CLUSTERS
    THIRUMALAI, D
    WALLQVIST, A
    BERNE, BJ
    JOURNAL OF STATISTICAL PHYSICS, 1986, 43 (5-6) : 973 - 984
  • [38] All-electron path integral Monte Carlo simulations of small atoms and molecules
    Shumway, J
    Computer Simulation Studies in Condensed-Matter Physics XVI, 2006, 103 : 181 - 195
  • [39] Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties
    Dornheim, Tobias
    Schwalbe, Sebastian
    Bohme, Maximilian P.
    Moldabekov, Zhandos A.
    Vorberger, Jan
    Tolias, Panagiotis
    JOURNAL OF CHEMICAL PHYSICS, 2024, 160 (16):
  • [40] Analysis of semi-classical potentials for molecular dynamics and Monte Carlo simulations of warm dense matter
    Jones, Christopher S.
    Murillo, Michael S.
    HIGH ENERGY DENSITY PHYSICS, 2007, 3 (3-4) : 379 - 394