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Ab initio path integral Monte Carlo approach to the static and dynamic density response of the uniform electron gas

机译:AB Initio Path Integral Monte Carlo均匀电子气体静态和动态密度响应的方法

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摘要

In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 121, 255001 (2018)] we have presented ab initio results for the dynamic structure factor S(q, omega) of the uniform electron gas for conditions ranging from the warm dense matter regime to the strongly correlated electron liquid. This was achieved on the basis of exact path integral Monte Carlo data by stochastically sampling the dynamic local field correction G(q, omega). In this paper we introduce in detail this reconstruction method and provide several practical demonstrations. Moreover, we thoroughly investigate the associated imaginary-time density-density correlation function F (q, tau). The latter also gives us access to the static density-response function chi (q) and static local field correction G(q), which are compared to standard dielectric theories like the widespread random phase approximation. In addition, we study the high-frequency limit of G(q, omega) and provide extensive results for the dynamic structure factor for different densities and temperatures. Finally, we discuss the implications of our findings for warm dense matter research and the interpretation of experiments.
机译:在最近的一封信中[T. Dornheim等人。,phy。 rev. lett。 121,255001(2018)]我们介绍了均匀电子气体的动态结构因子S(Q,Omega)的AB初始结果,用于从温热的致密物质调节到强相关的电子液体。这是基于通过随机采样动态局部场校正G(Q,Omega)的精确路径整数蒙特卡罗数据来实现的。在本文中,我们详细介绍了这种重建方法并提供了几种实践示范。此外,我们彻底研究了相关的假想时间密度密度相关函数f(q,tau)。后者还可以访问静态密度 - 响应函数CHI(Q)和静态局部场校正G(Q),其与广泛的随机相位近似等标准介电理理论进行比较。此外,我们研究了G(Q,Omega)的高频极限,并为不同的密度和温度提供了对动态结构因子的广​​泛结果。最后,我们讨论了我们的调查结果对温暖的密集物研究和对实验的解释的影响。

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  • 来源
    《Physical review》 |2019年第23期|235122.1-235122.20|共20页
  • 作者单位

    Christian Albrechts Univ Kiel Inst Theoret Phys & Astrophys Leibnizstr 15 D-24098 Kiel Germany;

    Christian Albrechts Univ Kiel Inst Theoret Phys & Astrophys Leibnizstr 15 D-24098 Kiel Germany|Ctr Adv Syst Understanding CASUS Gorlitz Germany;

    Helmholtz Zentrum Dresden Rossendorf Bautzner Landstr 400 D-01328 Dresden Germany;

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