Schoof T, Groth S, Vorberger J, Bonitz M
Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany.
Phys Rev Lett. 2015 Sep 25;115(13):130402. doi: 10.1103/PhysRevLett.115.130402. Epub 2015 Sep 22.
The uniform electron gas at finite temperature is of key relevance for many applications in dense plasmas, warm dense matter, laser excited solids, and much more. Accurate thermodynamic data for the uniform electron gas are an essential ingredient for many-body theories, in particular, density-functional theory. Recently, first-principles restricted path integral Monte Carlo results became available, which, however, had to be restricted to moderate degeneracy, i.e., low to moderate densities with r_{s}=r[over ¯]/a_{B}≳1. Here we present novel first-principles configuration path integral Monte Carlo results for electrons for r_{s}≤4. We also present quantum statistical data within the e^{4} approximation that are in good agreement with the simulations at small to moderate r_{s}.
有限温度下的均匀电子气与稠密等离子体、温稠密物质、激光激发固体等许多应用密切相关。均匀电子气的精确热力学数据是多体理论(特别是密度泛函理论)的重要组成部分。最近,第一性原理受限路径积分蒙特卡罗结果已经可以获得,然而,这些结果不得不限于中等简并度,即r_s = r[上划线]/a_B≳1的低到中等密度。在此,我们给出了r_s≤4时电子的新颖的第一性原理构型路径积分蒙特卡罗结果。我们还给出了在e^4近似下的量子统计数据,这些数据在小到中等r_s时与模拟结果吻合良好。