262 citations · 4.3k across the 149 of their papers we have counts for
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Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling
Tobias Dornheim, Jan Vorberger, Zhandos Moldabekov +1
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.…
Benchmarking Exchange-Correlation Functionals in the Spin-Polarized Inhomogeneous Electron Gas under Warm Dense Conditions
Zhandos Moldabekov, Tobias Dornheim, Jan Vorberger +1
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-co…
Integral equation theory based dielectric scheme for strongly coupled electron liquids
P. Tolias, F. Lucco Castello, T. Dornheim
In a recent paper, Lucco Castello et al. [arXiv:2107.03537] provided an accurate parametrization of classical one-component plasma bridge functions that was embedded in a novel die…
Path Integral Monte Carlo Simulations of liquid He without Fixed Nodes: Structural Properties and Collective Excitations
Tobias Dornheim, Zhandos Moldabekov, Jan Vorberger +1
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of normal liquid He without any nodal constraints. This allows us to study the effects of…
The Relevance of Electronic Perturbations in the Warm Dense Electron Gas
Zhandos Moldabekov, Tobias Dornheim, Maximilian Böhme +2
Warm dense matter (WDM) has emerged as one of the frontiers of both experimental and theoretical physics and is challenging traditional concepts of plasma, atomic, and condensed-ma…
Classical bridge functions in classical and quantum plasma liquids
F. Lucco Castello, P. Tolias, T. Dornheim
Bridge functions, the missing link in the exact description of strong correlations, are indirectly extracted from specially designed molecular dynamics simulations of classical one…
Nonlinear Density Response and Higher Order Correlation Functions in Warm Dense Matter
Tobias Dornheim, Jan Vorberger, Zhandos Moldabekov
In a recent letter [\textit{Phys.~Rev.~Lett.}~\textbf{125}, 085001 (2020)], Dornheim \textit{et al.}~have presented the first \textit{ab initio} path integral Monte Carlo (PIMC) re…
Nonlinear electronic density response of the ferromagnetic uniform electron gas at warm dense matter conditions
Tobias Dornheim, Zhandos Moldabekov, Jan Vorberger
In a recent Letter [T.~Dornheim \emph{et al.}, Phys.~Rev.~Lett.~\textbf{125}, 085001 (2020)], we have presented the first \emph{ab initio} results for the nonlinear density respons…
Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas
Tobias Dornheim, Zhandos A. Moldabekov, Jan Vorberger
The \emph{ab initio} path integral Monte Carlo (PIMC) approach is one of the most successful methods in quantum many-body theory. A particular strength of this method is its straig…
Momentum distribution of the Uniform Electron Gas at finite temperature: Effects of spin-polarization
Tobias Dornheim, Jan Vorberger, Burkhard Militzer +1
We carry out extensive direct path integral Monte Carlo (PIMC) simulations of the uniform electron gas (UEG) at finite temperature for different values of the spin-polarization …
Thermal Signals from Collective Electronic Excitations in Inhomogeneous Warm Dense Matter
Zh. A. Moldabekov, T. Dornheim, A. Cangi
We predict the emergence of novel collective electronic excitations in warm dense matter with an inhomogeneous electronic structure based on first-principles calculations. The emer…
Towards a Quantum Fluid Theory of Correlated Many-Fermion Systems from First Principles
Zh. A. Moldabekov, T. Dornheim, G. Gregori +3
Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements common first-pri…
Fermion Sign Problem in Path Integral Monte Carlo Simulations: Grand-canonical ensemble
Tobias Dornheim
We present a practical analysis of the fermion sign problem in fermionic path integral Monte Carlo (PIMC) simulations in the grand-canonical ensemble (GCE). As a representative mod…
A Machine-Learning Surrogate Model for ab initio Electronic Correlations at Extreme Conditions
Tobias Dornheim, Zhandos Moldabekov, Attila Cangi
The electronic structure in matter under extreme conditions is a challenging complex system prevalent in astrophysical objects and highly relevant for technological applications. W…
Density Response of the Warm Dense Electron Gas beyond Linear Response Theory: Excitation of Harmonics
Tobias Dornheim, Maximilian Böhme, Zhandos A. Moldabekov +2
In a recent Letter, Dornheim et al. [PRL 125, 085001 (2020)] have investigated the nonlinear density response of the uniform electron gas in the warm dense matter regime. More spec…
Ab initio path integral Monte Carlo approach to the momentum distribution of the uniform electron gas at finite temperature without fixed nodes
Tobias Dornheim, Maximilian Böhme, Burkhard Militzer +1
We present extensive new \textit{ab intio} path integral Monte Carlo results for the momentum distribution function of the uniform electron gas (UEG) in the warm de…
Analytical representation of the Local Field Correction of the Uniform Electron Gas within the Effective Static Approximation
Tobias Dornheim, Zhandos A. Moldabekov, Panagiotis Tolias
The description of electronic exchange--correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent Letter, Dornheim \textit…
Overcoming finite-size effects in electronic structure simulations at extreme conditions
Tobias Dornheim, Jan Vorberger
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to t…
Momentum distribution function and short-range correlations of the warm dense electron gas -- ab initio quantum Monte Carlo results
Kai Hunger, Tim Schoof, Tobias Dornheim +2
In a classical plasma the momentum distribution, , decays exponentially, for large , and the same is observed for an ideal Fermi gas. However, when quantum and correlation…