262 citations · 4.3k across the 149 of their papers we have counts for
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Ab initio path integral Monte Carlo simulations of the uniform electron gas on large length scales
Tobias Dornheim, Sebastian Schwalbe, Zhandos Moldabekov +2
The accurate description of non-ideal quantum many-body systems is of prime importance for a host of applications within physics, quantum chemistry, material science, and related d…
Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations
Gerd Röpke, Tobias Dornheim, Jan Vorberger +2
The properties of plasmas in the low-density limit are described by virial expansions. Analytical expressions are known from Green's function approaches only for the first three vi…
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Panagiotis Tolias, Simon Groth +3
The \emph{ab initio} path integral Monte Carlo (PIMC) method is one of the most successful methods in statistical physics, quantum chemistry and related fields, but its application…
Bound state breaking and the importance of thermal exchange-correlation effects in warm dense hydrogen
Zhandos Moldabekov, Sebastian Schwalbe, Maximilian Böhme +5
Hydrogen at extreme temperatures and pressures is ubiquitous throughout our universe and naturally occurs in a variety of astrophysical objects. In addition, it is of key relevance…
Evidence of free-bound transitions in warm dense matter and their impact on equation-of-state measurements
Maximilian P. Böhme, Luke B. Fletcher, Tilo Döppner +8
Warm dense matter (WDM) is now routinely created and probed in laboratories around the world, providing unprecedented insights into conditions achieved in stellar atmospheres, plan…
Electronic density response of warm dense hydrogen on the nanoscale
Tobias Dornheim, Maximilian Böhme, Zhandos Moldabekov +1
The properties of hydrogen at warm dense matter (WDM) conditions are of high importance for the understanding of astrophysical objects and technological applications such as inerti…
X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain
Tobias Dornheim, Tilo Döppner, Andrew D. Baczewski +10
We present a formally exact and simulation-free approach for the normalization of X-ray Thomson scattering (XRTS) spectra based on the f-sum rule of the imaginary-time correlation…
Prediction of a roton-type feature in warm dense hydrogen
Paul Hamann, Linda Kordts, Alexey Filinov +3
In a recent Letter [T. Dornheim \textit{et al.}, Phys. Rev. Lett. \textbf{121}, 255001 (2018)], it was predicted on the basis of \textit{ab initio} quantum Monte Carlo simulations…
Imposing Correct Jellium Response Is Key to Predict the Density Response by Orbital-Free DFT
Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello +3
Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature mate…
Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids
Panagiotis Tolias, Federico Lucco Castello, Tobias Dornheim
A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electroni…
Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen
Zhandos A. Moldabekov, Jan Vorberger, Mani Lokamani +1
Linear-response time-dependent density functional theory (LR-TDDFT) simulations of disordered extended systems require averaging over different snapshots of ion configurations to m…
Unravelling the nonlinear ideal density response of many-body systems
Panagiotis Tolias, Tobias Dornheim, Zhandos A. Moldabekov +1
Nonlinear density response theory is revisited focusing on the harmonically perturbed finite temperature uniform electron gas. Within the non-interacting limit, brute force quantum…
Revealing Non-equilibrium and Relaxation in Warm Dense Matter
Jan Vorberger, Thomas R. Preston, Nikita Medvedev +4
Experiments creating extreme states of matter almost invariably create non-equilibrium states. These are very interesting in their own right but need to be understood even if the u…
Energy response and spatial alignment of the perturbed electron gas
Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov +1
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the harmonically perturbed uniform electron gas (UEG) for different densities and temperat…
Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels
Zhandos A. Moldabekov, Michele Pavanello, Maximilian P. Boehme +2
We present a new methodology for the linear-response time-dependent density functional theory (LR-TDDFT) calculation of the dynamic density response function of warm dense matter i…
Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
Tobias Dornheim, Damar C. Wicaksono, Juan E. Suarez-Cardona +5
We introduce an exact framework to compute the positive frequency moments of different dynamic properties from imaginary-time quantum Monte Carlo…