Fermionic path-integral Monte Carlo results for the uniform electron gas at finite temperature

被引:63
作者
Filinov, V. S. [1 ]
Fortov, V. E. [1 ]
Bonitz, M. [2 ]
Moldabekov, Zh. [2 ]
机构
[1] Russian Acad Sci, Inst High Temp, Moscow 125412, Russia
[2] Univ Kiel, Inst Theoret Phys & Astrophys, D-24098 Kiel, Germany
来源
PHYSICAL REVIEW E | 2015年 / 91卷 / 03期
基金
俄罗斯科学基金会;
关键词
PLASMA PHASE-TRANSITION; HYDROGEN PLASMA; COULOMB-SYSTEMS; DENSE HYDROGEN; HOLE PLASMAS; THERMODYNAMICS; SIMULATIONS; HELIUM; DEGENERACY; EXPANSION;
D O I
10.1103/PhysRevE.91.033108
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
The uniform electron gas (UEG) at finite temperature has recently attracted substantial interest due to the experimental progress in the field of warm dense matter. To explain the experimental data, accurate theoretical models for high-density plasmas are needed that depend crucially on the quality of the thermodynamic properties of the quantum degenerate nonideal electrons and of the treatment of their interactionwith the positive background. Recent fixed-node path-integral Monte Carlo (RPIMC) data are believed to be the most accurate for the UEG at finite temperature, but they become questionable at high degeneracy when the Brueckner parameter rs = a/a(B)-the ratio of the mean interparticle distance to the Bohr radius-approaches 1. The validity range of these simulations and their predictive capabilities for the UEG are presently unknown. This is due to the unknown quality of the used fixed nodes and of the finite-size scaling from N = 33 simulated particles (per spin projection) to the macroscopic limit. To analyze these questions, we present alternative direct fermionic path integral Monte Carlo (DPIMC) simulations that are independent from RPIMC. Our simulations take into account quantum effects not only in the electron system but also in their interaction with the uniform positive background. Also, we use substantially larger particle numbers (up to three times more) and perform an extrapolation to the macroscopic limit. We observe very good agreement with RPIMC, for the polarized electron gas, up to moderate densities around r(s) = 4, and larger deviations for the unpolarized case, for low temperatures. For higher densities (high electron degeneracy), r(s) less than or similar to 1.5, both RPIMC and DPIMC are problematic due to the increased fermion sign problem.
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页数:12
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