Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange-correlation kernels
We present a methodology for the linear-response time-dependent density functional theory
(LR-TDDFT) calculation of the dynamic density response function of warm dense matter in …
(LR-TDDFT) calculation of the dynamic density response function of warm dense matter in …
Analysing the dynamic structure of warm dense matter in the imaginary-time domain: Theoretical models and simulations
T Dornheim, J Vorberger… - … Transactions of the …, 2023 - royalsocietypublishing.org
Rigorous diagnostics of experiments with warm dense matter are notoriously difficult. A key
method is X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is …
method is X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is …
Bound-state breaking and the importance of thermal exchange–correlation effects in warm dense hydrogen
Hydrogen at extreme temperatures and pressures is of key relevance for cutting-edge
technological applications, with inertial confinement fusion research being a prime example …
technological applications, with inertial confinement fusion research being a prime example …
Ab Initio Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales
The accurate description of non-ideal quantum many-body systems is of prime importance
for a host of applications within physics, quantum chemistry, materials science, and related …
for a host of applications within physics, quantum chemistry, materials science, and related …
[HTML][HTML] Imaginary-time correlation function thermometry: A new, high-accuracy and model-free temperature analysis technique for x-ray Thomson scattering data
The accurate interpretation of experiments with matter at extreme densities and pressures is
a notoriously difficult challenge. In a recent work [Dornheim et al., Nat. Commun. 13, 7911 …
a notoriously difficult challenge. In a recent work [Dornheim et al., Nat. Commun. 13, 7911 …
[HTML][HTML] Physical insights from imaginary-time density–density correlation functions
An accurate theoretical description of the dynamic properties of correlated quantum many-
body systems, such as the dynamic structure factor S (q, ω), is important in many fields …
body systems, such as the dynamic structure factor S (q, ω), is important in many fields …
Prediction of a roton-type feature in warm dense hydrogen
In a recent Letter [T. Dornheim, Phys. Rev. Lett. 121, 255001 (2018) 0031-9007
10.1103/PhysRevLett. 121.255001], it was predicted on the basis of ab initio quantum Monte …
10.1103/PhysRevLett. 121.255001], it was predicted on the basis of ab initio quantum Monte …
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 …
[HTML][HTML] Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
T Dornheim, P Tolias, S Groth… - The Journal of …, 2023 - pubs.aip.org
The 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 to …
methods in statistical physics, quantum chemistry and related fields, but its application to …
Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
T Dornheim, DC Wicaksono, JE Suarez-Cardona… - Physical Review B, 2023 - APS
We introduce an exact framework to compute the positive frequency moments M (α)(q)=〈 ω
α〉 of different dynamic properties from imaginary-time quantum Monte Carlo data. As a …
α〉 of different dynamic properties from imaginary-time quantum Monte Carlo data. As a …