# Ab initio path integral monte carlo simulation of the uniform electron gas in the high energy density regime

@article{Dornheim2020AbIP, title={Ab initio path integral monte carlo simulation of the uniform electron gas in the high energy density regime}, author={Tobias Dornheim and Zhandos A. Moldabekov and Jan Vorberger and Simon Groth}, journal={Plasma Physics and Controlled Fusion}, year={2020}, volume={62} }

The response of the uniform electron gas (UEG) to an external perturbation is of paramount importance for many applications. Recently, highly accurate results for the static density response function and the corresponding local field correction have been provided both for warm dense matter [2019 J. Chem. Phys. 151 194104] and strongly coupled electron liquid [2020 Phys. Rev. B 101 045129] conditions based on exact ab initio path integral Monte Carlo (PIMC) simulations. In the present work, we…

## 23 Citations

### Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

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- 2022

We assess the accuracy of common hybrid exchange-correlation (XC) functionals (PBE0, PBE0-1/3, HSE06, HSE03, and B3LYP) within Kohn–Sham density functional theory (KS-DFT) for the harmonically…

### Analyzing X-ray Thomson scattering experiments of warm dense matter in the imaginary-time domain: theoretical models and simulations

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The rigorous diagnostics of experiments with warm dense matter (WDM) is notoriously diﬃcult. A key method is given by X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is…

### Ab initio Computation of the Static Exchange–Correlation Kernel of Real Materials: From Ambient Conditions to Warm Dense Matter

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The electronic exchange—correlation (XC) kernel constitutes a fundamental input for the estimation of a gamut of material properties such as the dielectric characteristics, the thermal and electrical…

### Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions

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We combine ab initio path integral Monte Carlo (PIMC) simulations with ﬁxed ion conﬁgurations from density functional theory molecular dynamics (DFT-MD) simulations to solve the electronic problem…

### Spin-resolved density response of the warm dense electron gas

- PhysicsPhysical Review Research
- 2022

We present extensive new ab initio path integral Monte Carlo (PIMC) results for the spin-resolved density response of the uniform electron gas (UEG) at warm dense matter conditions. This allows us to…

### The Uniform Electron Gas at High Temperatures: Ab Initio Path Integral Monte Carlo Simulations and Analytical Theory

- MathematicsSSRN Electronic Journal
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### Benchmarking exchange-correlation functionals in the spin-polarized inhomogeneous electron gas under warm dense conditions

- PhysicsPhysical Review B
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Warm dense matter is a highly active research area both at the frontier and interface of material science and plasma physics. We assess the performance of commonly used exchange-correlation (XC)…

### Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling

- Physics
- 2021

We present extensive new ab initio path integral Monte Carlo (PIMC) results for an electron gas at warm dense matter conditions that is subject to multiple harmonic perturbations. In addition to the…

### Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas.

- PhysicsThe Journal of chemical physics
- 2021

This work presents analogous relations between the nonlinear density response in the quadratic and cubic order of the perturbation strength and generalized ITCFs measuring correlations between up to four imaginary-time arguments.

### Density response of the warm dense electron gas beyond linear response theory: Excitation of harmonics

- PhysicsPhysical Review Research
- 2021

Tobias Dornheim, 2, ∗ Maximilian Böhme, 2, 3 Zhandos A. Moldabekov, 2 Jan Vorberger, and Michael Bonitz Center for Advanced Systems Understanding (CASUS), D-02826 Görlitz, Germany Helmholtz-Zentrum…

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