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Updated: Aug 30, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Static Electronic Density Response of Warm Dense Hydrogen: Ab Initio Path Integral Monte Carlo Simulations
Maximilian Böhme1,2,3, Zhandos A Moldabekov1,2, Jan Vorberger2
1Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany.
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 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 results for the static electronic density response of hydrogen. We obtain the static exchange-correlation (XC) kernel K_{XC}, which is of central relevance for many applications, such as time-dependent density functional theory. 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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