[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] Ab initio simulation of warm dense matter

M Bonitz, T Dornheim, ZA Moldabekov, S Zhang… - Physics of …, 2020 - pubs.aip.org
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 …

[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 …

Nevanlinna analytical continuation

J Fei, CN Yeh, E Gull - Physical Review Letters, 2021 - APS
Simulations of finite temperature quantum systems provide imaginary frequency Green's
functions that correspond one to one to experimentally measurable real-frequency spectral …

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 …

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 …

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 …

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 …

Effective static approximation: A fast and reliable tool for warm-dense matter theory

T Dornheim, A Cangi, K Ramakrishna, M Böhme… - Physical Review Letters, 2020 - APS
We present an effective static approximation (ESA) to the local field correction (LFC) of the
electron gas that enables highly accurate calculations of electronic properties like the …