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Static Electronic Density Response of Warm Dense Hydrogen: <i>Ab Initio</i> Path Integral Monte Carlo Simulations

Maximilian Böhme, Zhandos A. Moldabekov, Jan Vorberger, Tobias Dornheim

2022Physical Review Letters45 citationsDOIOpen Access PDF

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.

Topics & Concepts

Warm dense matterPath integral Monte CarloPhysicsMonte Carlo methodHydrogenStatistical physicsDensity functional theoryElectronic structureSolid hydrogenDynamical mean field theoryElectronComputational physicsPath integral formulationCondensed matter physicsQuantum mechanicsMathematicsQuantumStatisticsAdvanced Chemical Physics StudiesAtomic and Molecular PhysicsQuantum, superfluid, helium dynamics
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