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Thermodynamic properties of the finite-temperature electron gas by the fermionic path integral Monte Carlo method
Physics of Plasmas ( IF 2.0 ) Pub Date : 2021-07-06 , DOI: 10.1063/5.0051775
V. S. Filinov 1 , P. R. Levashov 1, 2 , A. S. Larkin 1
Affiliation  

The recently developed quantum path integral Monte Carlo approach [Filinov et al., Phys. Rev. E 102(3), 033203 (2020)] has been applied for the entropy difference calculations for the strongly coupled degenerated uniform electron gas (UEG), a well-known model of simple metals. The used approach includes the Coulomb and exchange interaction of fermions in the basic Monte Carlo cell and its periodic images as well as the change of variables in the path integral measure and exchange determinant. Calculations have been carried out at finite temperature in the canonical ensemble. Presented results include the pair distribution functions, the isochors, and isotherms of pressure, internal energy, and the entropy change in the strongly coupled and degenerate UEG. The obtained data may be useful for density functional theory.

中文翻译:

基于费米子路径积分蒙特卡罗方法的有限温度电子气的热力学性质

最近开发的量子路径积分蒙特卡罗方法 [Filinov et al. ,物理。修订版 E 102(3), 033203 (2020)] 已应用于强耦合简并均匀电子气 (UEG) 的熵差计算,UEG 是众所周知的简单金属模型。使用的方法包括基本蒙特卡罗单元中费米子的库仑和交换相互作用及其周期图像,以及路径积分测度和交换行列式中变量的变化。计算是在规范系综中在有限温度下进行的。呈现的结果包括对分布函数、压力的等色线和等温线、内能以及强耦合和退化 UEG 的熵变化。获得的数据可能对密度泛函理论有用。
更新日期:2021-08-01
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