有限温度简并电子气的从头算热力学结果
Ab initio thermodynamic results for the degenerate electron gas at finite temperature
摘要：
有限温度下的均匀电子气（UEG）在稠密等离子体、热稠密物质、激光激发固体等许多应用中具有关键意义。精确的UEG热力学数据是多体理论的重要组成部分，特别是密度泛函理论。最近，第一原理限制路径积分蒙特卡罗结果变得可用，然而，由于费米子符号问题，必须限制到中等简并，即低到中等密度与$r_s={\bar r}/a_B \gtrsim 1$。在这里，我们提出了新的第一原理配置PIMC结果为电子$r_s \leq 1$。我们还提出了量子统计数据内的$e^4$-近似，在小到中等$r_s$的模拟是很好的协议。
英文摘要：
The uniform electron gas (UEG) 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 UEG are an essential ingredient for many-body theories, in particular, density functional theory. Recently, first-principle restricted path integral Monte Carlo results became available which, however, due to the fermion sign problem, had to be restricted to moderate degeneracy, i.e. low to moderate densities with $r_s={\bar r}/a_B \gtrsim 1$. Here we present novel first-principle configuration PIMC results for electrons for $r_s \leq 1$. We also present quantum statistical data within the $e^4$-approximation that are in good agreement with the simulations at small to moderate $r_s$.
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