论文标题
均值路径积分蒙特卡洛模拟在高能量密度方面的均匀电子气体
Ab initio path integral Monte Carlo simulation of the Uniform Electron Gas in the High Energy Density Regime
论文作者
论文摘要
对于许多应用，统一电子气（UEG）对外部扰动的响应至关重要。最近，为温暖的物质提供了静态密度响应函数和相应的局部校正的高度准确的结果[\ textit {J.〜Chem。 （2020）]基于精确\ textit {ab intio}路径积分蒙特卡洛（PIMC）模拟的条件。在目前的工作中，我们通过探索高能量密度制度进一步完成对UEG的描述，这与例如天体物理应用和惯性限制融合实验相关。为此，我们为静态密度响应的范围内介绍了$ 0.05 \ leq r_s \ leq 0.5 $和$ 0.85 \leqθ\ leq 8 $的广泛新PIMC结果。随后，这些数据用于基准基准通过Singwi，Tosi，Land和Sjölander（STLS）的广泛使用随机相位近似和介电理论的准确性。此外，我们将结果与配置PIMC数据进行了比较，并找到可用的配置数据，并找到完美的一致性，相对准确性为$ 0.001-0.01 \％$。所有PIMC数据均可在线获得。
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 $0.85\leqθ\leq8$. 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 Sjölander (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.
