论文标题
从初始路径积分蒙特卡洛模拟重建动态特性中的有限尺寸效应
Finite-size effects in the reconstruction of dynamic properties from ab initio path integral Monte-Carlo simulations
论文作者
论文摘要
我们系统地研究了通过\ textIt {ab intio}路径积分蒙特卡洛（PIMC）数据获得的均匀电子气体的动态结构因子$ s（q，ω）$的有限尺寸效应，用于虚构的时间密度密度 - 密度相关函数$ f（q，τ）$。 Using the recent scheme by Dornheim \textit{et al.}~[PRL \textbf{121}, 255001 (2018)], we find that the reconstructed spectra are not afflicted with any finite-size effects for as few as $N=14$ electrons both at warm dense matter (WDM) conditions and at the margins of the strongly correlated electron liquid regime.我们的结果进一步证实了我们当前对相关电子动态密度响应的高质量描述，这对于WDM理论及以后的许多应用至关重要。
We systematically investigate finite-size effects in the dynamic structure factor $S(q,ω)$ of the uniform electron gas obtained via the analytic continuation of \textit{ab initio} path integral Monte-Carlo (PIMC) data for the imaginary-time density--density correlation function $F(q,τ)$. Using the recent scheme by Dornheim \textit{et al.}~[PRL \textbf{121}, 255001 (2018)], we find that the reconstructed spectra are not afflicted with any finite-size effects for as few as $N=14$ electrons both at warm dense matter (WDM) conditions and at the margins of the strongly correlated electron liquid regime. Our results further corroborate the high quality of our current description of the dynamic density response of correlated electrons, which is of high importance for many applications in WDM theory and beyond.
