[HTML][HTML] From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions

Z Moldabekov, J Vorberger, T Dornheim - Progress in Particle and Nuclear …, 2024 - Elsevier
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 …

[HTML][HTML] Toward first principles-based simulations of dense hydrogen

M Bonitz, J Vorberger, M Bethkenhagen… - Physics of …, 2024 - pubs.aip.org
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …

[HTML][HTML] Electronic density response of warm dense matter

T Dornheim, ZA Moldabekov, K Ramakrishna… - Physics of …, 2023 - pubs.aip.org
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 …

Electronic pair alignment and roton feature in the warm dense electron gas

T Dornheim, Z Moldabekov, J Vorberger… - Communications …, 2022 - nature.com
The study of matter under extreme densities and temperatures as they occur, for example, in
astrophysical objects and nuclear fusion applications has emerged as one of the most active …

[HTML][HTML] Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties

T Dornheim, S Schwalbe, MP Böhme… - The Journal of …, 2024 - pubs.aip.org
We present extensive new ab initio path integral Monte Carlo (PIMC) results for a variety of
structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign …

Ab initio static exchange–correlation kernel across jacob's ladder without functional derivatives

Z Moldabekov, M Böhme, J Vorberger… - Journal of Chemical …, 2023 - ACS Publications
The electronic exchange─ correlation (XC) kernel constitutes a fundamental input for the
estimation of a gamut of properties such as the dielectric characteristics, the thermal and …

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 …

[HTML][HTML] Ab initio density response and local field factor of warm dense hydrogen

T Dornheim, S Schwalbe, P Tolias… - Matter and Radiation …, 2024 - pubs.aip.org
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 regime, from …

X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain

T Dornheim, T Döppner, AD Baczewski, P Tolias… - Scientific Reports, 2024 - nature.com
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 …

[HTML][HTML] Fourier–Matsubara series expansion for imaginary–time correlation functions

P Tolias, F Kalkavouras, T Dornheim - The Journal of Chemical …, 2024 - pubs.aip.org
A Fourier–Matsubara series expansion is derived for imaginary–time correlation functions
that constitutes the imaginary–time generalization of the infinite Matsubara series for equal …