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Static Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations

ORAL

Abstract

The properties of hydrogen under extreme conditions are important for many applications, including inertial confinement fusion and astrophysical models. A key quantity is given by the electronic density response to an external perturbation, which is probed in X-ray Thomson scattering (XRTS) experiments---the state of the art diagnostics from which system parameters like the free electron density ne, the electronic temperature Te, and the charge state Z can be inferred. In this work, we present highly accurate path integral Monte Carlo (PIMC) results for the static electronic density response of hydrogen. We obtain the static exchange--correlation (XC) kernel KXC, which is of central relevance for many applications, such as time-dependent density functional theory (TD-DFT). This gives us a first unbiased look into the electronic density response of hydrogen in the warm-dense matter regime, thereby opening up a gamut of avenues for future research.

Publication: Phys. Rev. Lett. 129, 066402, https://arxiv.org/abs/2203.01797

Presenters

  • Maximilian P Boehme

    Center for Advanced Systems Understanding

Authors

  • Maximilian P Boehme

    Center for Advanced Systems Understanding

  • Zhandos A Moldabekov

    Center for Advanced Systems Understanding

  • Jan Vorberger

    Helmholtz Zentrum Dresden-Rossendorf

  • Tobias Dornheim

    Helmholtz Zentrum Dresden-Rossendorf