The uniform electron gas at warm dense matter conditions
Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
[HTML][HTML] Electronic density response of warm dense matter
Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …
Recent progress in the theory and simulation of strongly correlated plasmas: phase transitions, transport, quantum, and magnetic field effects
T Ott, H Thomsen, JW Abraham, T Dornheim… - The European Physical …, 2018 - Springer
We review recent progress in theory and simulation of strongly correlated classical plasmas,
in general, and dusty plasmas, in particular. Using the one-component plasma (OCP) as a …
in general, and dusty plasmas, in particular. Using the one-component plasma (OCP) as a …
[HTML][HTML] Ab initio simulation of warm dense matter
Warm dense matter (WDM)—an exotic state of highly compressed matter—has attracted
increased interest in recent years in astrophysics and for dense laboratory systems. At the …
increased interest in recent years in astrophysics and for dense laboratory systems. At the …
[HTML][HTML] Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
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 …
most challenging tasks in contemporary physics and related disciplines. In this context, a …
Analytical representation of the local field correction of the uniform electron gas within the effective static approximation
The description of electronic exchange-correlation effects is of paramount importance for
many applications in physics, chemistry, and beyond. In a recent paper, Dornheim et …
many applications in physics, chemistry, and beyond. In a recent paper, Dornheim et …
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
We assess the accuracy of common hybrid exchange-correlation (XC) functionals (PBE0,
PBE0-1/3, HSE06, HSE03, and B3LYP) within the Kohn–Sham density functional theory for …
PBE0-1/3, HSE06, HSE03, and B3LYP) within the Kohn–Sham density functional theory for …
Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen
Linear-response time-dependent density functional theory (LR-TDDFT) simulations of
disordered extended systems require averaging over different snapshots of ion …
disordered extended systems require averaging over different snapshots of ion …
Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory
We introduce a practical hybrid approach that combines orbital-free density functional theory
(DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations …
(DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations …
Imposing correct jellium response is key to predict the density response by orbital-free DFT
Orbital-free density functional theory constitutes a computationally highly effective tool for
modeling electronic structures of systems ranging from room-temperature materials to warm …
modeling electronic structures of systems ranging from room-temperature materials to warm …