[HTML][HTML] From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions
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 …
classical many-particle physics. Arguably, one of the most successful and widely used …
[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 …
Ab initio static exchange–correlation kernel across Jacob's ladder without functional derivatives
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 …
estimation of a gamut of properties such as the dielectric characteristics, the thermal and …
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 …
Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel
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 …
functionals with a single mixing coefficient such as PBE0 and PBE0–1/3. We break down the …
Static Electronic Density Response of Warm Dense Hydrogen: Ab Initio Path Integral Monte Carlo Simulations
The properties of hydrogen under extreme conditions are important for many applications,
including inertial confinement fusion and astrophysical models. A key quantity is given by …
including inertial confinement fusion and astrophysical models. A key quantity is given by …
[HTML][HTML] Ab initio density response and local field factor of warm dense hydrogen
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 …
density responses and local field factors of hydrogen in the warm dense matter regime, from …
[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 …
[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 …
Density response of the warm dense electron gas beyond linear response theory: Excitation of harmonics
In a recent letter, Dornheim et al.[Phys. Rev. Lett. 125, 085001 (2020) PRLTAO 0031-9007
10.1103/PhysRevLett. 125.085001] have investigated the nonlinear density response of the …
10.1103/PhysRevLett. 125.085001] have investigated the nonlinear density response of the …