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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Cited by in corpus (21)

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• First principles simulations of dense hydrogen
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• X-ray Thomson scattering spectra from DFT-MD simulations based on a modified Chihara formula
• Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
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• Generalized density functional theory framework for the non-linear density response of quantum many-body systems
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