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
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