197 citations · 2.7k across the 110 of their papers we have counts for
18 papers · 1 filter
Temperature analysis of X-ray Thomson scattering data
Tobias Dornheim, Maximilian Böhme, Dave Chapman +7
The accurate interpretation of experiments with matter at extreme densities and pressures is a notoriously difficult challenge. In a recent work [T.~Dornheim et al., Nature Comm. (…
Electronic Density Response of Warm Dense Matter
Tobias Dornheim, Zhandos A. Moldabekov, Kushal Ramakrishna +11
Matter at extreme temperatures and pressures -- commonly known as warm dense matter (WDM) in the literature -- is ubiquitous throughout our Universe and occurs in a number of astro…
Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel
Zhandos A. Moldabekov, Mani Lokamani, Jan Vorberger +2
We present an analysis of the static exchange-correlation (XC) kernel computed from hybrid functionals with a single mixing coefficient such as PBE0 and PBE0-1/3. We break down the…
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
Zhandos A. Moldabekov, Mani Lokamani, Jan Vorberger +2
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…
Analyzing X-ray Thomson scattering experiments of warm dense matter in the imaginary-time domain: theoretical models and simulations
Tobias Dornheim, Jan Vorberger, Zhandos Moldabekov +1
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 X…
Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
We present a comprehensive investigation of the electrical and thermal conductivity of iron under high pressures at ambient temperature, employing the real-time formulation of time…
Physical insights from imaginary-time density--density correlation functions
Tobias Dornheim, Zhandos Moldabekov, Panagiotis Tolias +2
The accurate theoretical description of the dynamic properties of correlated quantum many-body systems such as the dynamic structure factor constitutes an importa…
Ab initio Static Exchange-Correlation Kernel across Jacob's Ladder without functional derivatives
Zhandos A. Moldabekov, Maximilian Böhme, Jan Vorberger +2
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 the…
Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions
Maximilian Böhme, Zhandos A. Moldabekov, Jan Vorberger +1
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…
Accurate Temperature Diagnostics for Matter under Extreme Conditions
Tobias Dornheim, Maximilian Böhme, Dominik Kraus +4
The experimental investigation of matter under extreme densities and temperatures as they occur for example in astrophysical objects and nuclear fusion applications constitutes one…
Spin-resolved density response of the warm dense electron gas
Tobias Dornheim, Jan Vorberger, Zhandos Moldabekov +1
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) results for the spin-resolved density response of the uniform electron gas (UEG) at warm dense matter con…
Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov +2
The rigorous description of correlated quantum many-body systems constitutes one of the most challenging tasks in contemporary physics and related disciplines. In this context, a p…
Electronic pair alignment and roton feature in the warm dense electron gas
Tobias Dornheim, Zhandos Moldabekov, Jan Vorberger +2
The study of matter under extreme densities and temperatures as they occur e.g. in astrophysical objects and nuclear fusion applications has emerged as one of the most active front…
Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably meas…
Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations
Maximilian Böhme, Zhandos Moldabekov, Jan Vorberger +1
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…
Energy relaxation and electron-phonon coupling in laser-excited metals
Jia Zhang, Rui Qin, Wenjun Zhu +1
The rate of energy transfer between electrons and phonons is investigated by a first principles framework for electron temperatures up to K while considering the lattic…
The uniform electron gas at high temperatures: \emph{ab initio} path integral Monte Carlo simulations and analytical theory
Tobias Dornheim, Jan Vorberger, Zhandos Moldabekov +2
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the uniform electron gas (UEG) in the high-temperature regime, $8\leqθ=k_\textnormal{B}T/E…
Density-Functional-Theory Perspective on the Non-Linear Response of Correlated Electrons Across Temperature Regimes
Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate reg…