Linear-response TDDFT of warm dense matter with static exchange-correlation kernel across Jacob’s ladder and temperature regimes

We presetnt a method to compute a static exchange-correlation (XC) kernel across temperature regimes using KS-DFT for any XC functional available in Libxc [1]. We show the results of the static exchange-correlation kernel analysis using various XC functionals for dense electron gas and warm dense hydrogen. The results allow to better understund the effect of thermal excitations and density inhomogeneity on the XC kernel. Based on a comparison of KS-DFT data with high-precision Quantum Monte Carlo (QMC) data for both high temperatures and the ground state, we present the results of the analysis of the accuracy of the commonly used XC functionals for warm dense matter simulations [1-4]. As an application of the static XC kernel, we discuss linear-response time-dependent density functional theory (TDDFT) approach to warm dense matter with adiabatic exchange--correlation kernels [5].