262 citations · 4.3k across the 149 of their papers we have counts for
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Chemical potential of the warm dense electron gas from ab initio path integral Monte Carlo simulations
Tobias Dornheim, Michael Bonitz, Zhandos Moldabekov +3
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulation results for the chemical potential of the warm dense uniform electron gas (UEG), spanning a br…
η-ensemble path integral Monte Carlo approach to the free energy of the warm dense electron gas and the uniform electron liquid
Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov +1
We explore the recently introduced -ensemble approach to compute the free energy directly from \emph{ab initio} path integral Monte Carlo (PIMC) simulations [T.~Dornheim \emph{e…
Towards Model-free Temperature Diagnostics of Warm Dense Matter from Multiple Scattering Angles
Hannah M. Bellenbaum, Benjamin Bachmann, Dominik Kraus +9
Warm dense matter (WDM) plays an important role in astrophysical objects and technological applications, but the rigorous diagnostics of corresponding experiments is notoriously di…
Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme
Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim +1
The recently derived Fourier--Matsubara expansion of imaginary--time correlation functions comprises an exact result of linear response theory for finite-temperature quantum many-b…
On the density-density correlations of the non-interacting finite temperature electron gas
Panagiotis Tolias, Tobias Dornheim, Jan Vorberger
The density-density correlations of the non-interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utiliz…
Green's function perspective on the nonlinear density response of quantum many-body systems
Jan Vorberger, Tobias Dornheim, Maximilian P. Böhme +2
We derive equations of motion for higher order density response functions using the theory of thermodynamic Green's functions. We also derive expressions for the higher order gener…
Nonlocal vs Local Pseudopotentials Affect Kinetic Energy Kernels in Orbital-Free DFT
Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello +2
The kinetic energy (KE) kernel, which is defined as the second order functional derivative of the KE functional with respect to density, is the key ingredient to the construction o…
Model-free Rayleigh weight from x-ray Thomson scattering measurements
Tobias Dornheim, Hannah M. Bellenbaum, Mandy Bethkenhagen +16
X-ray Thomson scattering (XRTS) has emerged as a powerful tool for the diagnostics of matter under extreme conditions. In principle, it gives one access to important system paramet…
Short wavelength limit of the dynamic Matsubara local field correction
Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov +1
We investigate the short wavelength limit of the dynamic Matsubara local field correction of the uniform electron gas based on direct \emph{ab initi…
Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
Pontus Svensson, Yusuf Aziz, Tobias Dornheim +5
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, b…
Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter
Tobias Dornheim, Zhandos Moldabekov, Sebastian Schwalbe +1
We carry out highly accurate \emph{ab initio} path integral Monte Carlo (PIMC) simulations to directly estimate the free energy of various warm dense matter systems including the u…
Effects of Mosaic Crystal Instrument Functions on X-ray Thomson Scattering Diagnostics
Thomas Gawne, Hannah Bellenbaum, Luke B. Fletcher +36
Mosaic crystals, with their high integrated reflectivities, are widely-employed in spectrometers used to diagnose high energy density systems. X-ray Thomson scattering (XRTS) has e…
Quantum delocalization, structural order, and density response of the strongly coupled electron liquid
Tobias Dornheim, Panagiotis Tolias, Jan Vorberger +1
We investigate the impact of electronic correlations and quantum delocalization onto the static structure factor and static density response function of the strongly coupled electr…
First principles simulations of dense hydrogen
Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen +24
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) a…
Dynamic exchange-correlation effects in the strongly coupled electron liquid
Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras +2
We present the first quasi-exact \textit{ab initio} path integral Monte Carlo (PIMC) results for the dynamic local field correction in the ima…
From Density Response to Energy Functionals and Back: An ab initio perspective on Matter Under Extreme Conditions
Z. Moldabekov, J. Vorberger, T. Dornheim
Energy functionals serve as the basis for different models and methods in quantum and classical many-particle physics. Arguably, one of the most successful and widely used approach…
Fourier-Matsubara series expansion for imaginary-time correlation functions
Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim
A Fourier-Matsubara series expansion is derived for imaginary-time correlation functions that constitutes the imaginary-time generalization of the infinite Matsubara series for equ…
Ab initio Density Response and Local Field Factor of Warm Dense Hydrogen
Tobias Dornheim, Sebastian Schwalbe, Panagiotis Tolias +3
We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static density responses and local field factors of hydrogen in the warm dense matter regi…
Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: structural properties
Tobias Dornheim, Sebastian Schwalbe, Maximilian Böhme +3
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) results for a variety of structural properties of warm dense hydrogen and beryllium. To deal with the fer…
Ultrafast Heating Induced Suppression of -band Dominance in the Electronic Excitation Spectrum of Cuprum
Zhandos Moldabekov, Thomas D. Gawne, Sebastian Schwalbe +3
The combination of isochoric heating of solids by free electron lasers (FEL) and in situ diagnostics by X-ray Thomson scattering (XRTS) allows for measurements of material properti…
Ultrahigh Resolution X-ray Thomson Scattering Measurements at the European XFEL
Thomas Gawne, Zhandos A. Moldabekov, Oliver S. Humphries +18
Using a novel ultrahigh resolution (eV) setup to measure electronic features in x-ray Thomson scattering (XRTS) experiments at the European XFEL in Germany, we have…
Unraveling electronic correlations in warm dense quantum plasmas
Tobias Dornheim, Tilo Döppner, Panagiotis Tolias +10
The study of matter at extreme densities and temperatures has emerged as a highly active frontier at the interface of plasma physics, material science and quantum chemistry with di…
Excitation signatures of isochorically heated electrons in solids at finite wavenumber explored from first principles
Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe +3
Ultrafast heating of solids with modern X-ray free electron lasers (XFELs) leads to a unique set of conditions that is characterized by the simultaneous presence of heated electron…
Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid
Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras +1
The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermody…