[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 …

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange-correlation kernels

ZA Moldabekov, M Pavanello, MP Böhme… - Physical Review …, 2023 - APS
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 …

Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel

ZA Moldabekov, M Lokamani, J Vorberger… - The Journal of …, 2023 - ACS Publications
We present an analysis of the static exchange-correlation (XC) kernel computed from hybrid
functionals with a single mixing coefficient such as PBE0 and PBE0–1/3. We break down the …

[HTML][HTML] Imaginary-time correlation function thermometry: A new, high-accuracy and model-free temperature analysis technique for x-ray Thomson scattering data

T Dornheim, MP Böhme, DA Chapman, D Kraus… - Physics of …, 2023 - pubs.aip.org
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 …

[HTML][HTML] Physical insights from imaginary-time density–density correlation functions

T Dornheim, ZA Moldabekov, P Tolias… - Matter and Radiation …, 2023 - pubs.aip.org
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 …

Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

ZA Moldabekov, M Lokamani, J Vorberger… - The Journal of …, 2023 - pubs.aip.org
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 …

First-principles modeling of plasmons in aluminum under ambient and extreme conditions

K Ramakrishna, A Cangi, T Dornheim, A Baczewski… - Physical Review B, 2021 - APS
The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of
inelastic scattering diagnostics in many experiments. We highlight the utility of linear …

Thermal excitation signals in the inhomogeneous warm dense electron gas

ZA Moldabekov, T Dornheim, A Cangi - Scientific Reports, 2022 - nature.com
We investigate the emergence of electronic excitations from the inhomogeneous electronic
structure at warm dense matter parameters based on first-principles calculations. The …

New frontiers in extreme conditions science at synchrotrons and free electron lasers

V Cerantola, AD Rosa, Z Konôpková… - Journal of Physics …, 2021 - iopscience.iop.org
Synchrotrons and free electron lasers are unique facilities to probe the atomic structure and
electronic properties of matter at extreme thermodynamical conditions. In this context,'matter …

[HTML][HTML] High-resolution inelastic x-ray scattering at the high energy density scientific instrument at the European X-Ray Free-Electron Laser

L Wollenweber, TR Preston, A Descamps… - Review of scientific …, 2021 - pubs.aip.org
We introduce a setup to measure high-resolution inelastic x-ray scattering at the High
Energy Density scientific instrument at the European X-Ray Free-Electron Laser (XFEL). The …