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Ab initio path integral Monte Carlo simulation of the uniform electron gas in the high energy density regime
Plasma Physics and Controlled Fusion ( IF 2.1 ) Pub Date : 2020-05-28 , DOI: 10.1088/1361-6587/ab8bb4
Tobias Dornheim 1 , Zhandos A Moldabekov 2, 3 , Jan Vorberger 4 , Simon Groth 5
Affiliation  

The response of the uniform electron gas (UEG) to an external perturbation is of paramount importance for many applications. Recently, highly accurate results for the static density response function and the corresponding local field correction have been provided both for warm dense matter [\textit{J.~Chem.~Phys.}~\textbf{151}, 194104 (2019)] and strongly coupled electron liquid [\textit{Phys.~Rev.~B}~\textbf{101}, 045129 (2020)] conditions based on exact \textit{ab initio} path integral Monte Carlo (PIMC) simulations. In the present work, we further complete our current description of the UEG by exploring the high energy density regime, which is relevant for, e.g., astrophysical applications and inertial confinement fusion experiments. To this end, we present extensive new PIMC results for the static density response in the range of $0.05 \leq r_s \leq 0.5$ and $0.85\leq\theta\leq8$. These data are subsequently used to benchmark the accuracy of the widely used random phase approximation and the dielectric theory by Singwi, Tosi, Land, and Sjolander (STLS). Moreover, we compare our results to configuration PIMC data where they are available and find perfect agreement with a relative accuracy of $0.001-0.01\%$. All PIMC data are available online.

中文翻译:

高能量密度范围内均匀电子气的从头算路径积分蒙特卡罗模拟

均匀电子气 (UEG) 对外部扰动的响应对于许多应用至关重要。最近,已经为暖致密物质提供了静态密度响应函数和相应的局部场校正的高精度结果 [\textit{J.~Chem.~Phys.}~\textbf{151}, 194104 (2019)]和强耦合电子液体 [\textit{Phys.~Rev.~B}~\textbf{101}, 045129 (2020)] 条件基于精确的 \textit{ab initio} 路径积分 Monte Carlo (PIMC) 模拟。在目前的工作中,我们通过探索与天体物理应用和惯性约束聚变实验相关的高能量密度机制,进一步完善了我们目前对 UEG 的描述。为此,我们针对 $0 范围内的静态密度响应提供了广泛的新 PIMC 结果。05 \leq r_s \leq 0.5$ 和 $0.85\leq\theta\leq8$。这些数据随后被 Singwi、Tosi、Land 和 Sjolander (STLS) 用于对广泛使用的随机相位近似和介电理论的准确性进行基准测试。此外,我们将我们的结果与可用的配置 PIMC 数据进行比较,并找到相对准确度为 $0.001-0.01\%$ 的完美一致性。所有 PIMC 数据均可在线获取。
更新日期:2020-05-28
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