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

S. Groth, T. Dornheim, and J. Vorberger
Phys. Rev. B 99, 235122 – Published 10 June 2019

Abstract

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,ω) 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,ω). 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,τ). The latter also gives us access to the static density-response function χ(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,ω) 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.

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  • Received 29 March 2019

DOI:https://doi.org/10.1103/PhysRevB.99.235122

©2019 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & ThermodynamicsCondensed Matter, Materials & Applied PhysicsPlasma Physics

Authors & Affiliations

S. Groth1, T. Dornheim2,1,*, and J. Vorberger3

  • 1Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, Leibnizstraße 15, D-24098 Kiel, Germany
  • 2Center for Advanced Systems Understanding (CASUS), Görlitz, Germany
  • 3Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, D-01328 Dresden, Germany

  • *t.dornheim@hzdr.de

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Issue

Vol. 99, Iss. 23 — 15 June 2019

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