arXiv · 2203.01797
Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations
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 $n_e$, the electronic temperature $T_e$, and the charge state $Z$ can be inferred. In this work, we present highly accurate path integral Monte Carlo (PIMC) results for the electronic density response of hydrogen. We obtain the exchange-correlation (XC) kernel $K_{xc}$, 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.
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Maximilian Böhme, Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim. 2022-03-03. Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations. https://doi.org/10.1103/physrevlett.129.066402
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