81 citations · 136 across the 13 of their papers we have counts for
4 papers · 1 filter
Bound state breaking and the importance of thermal exchange-correlation effects in warm dense hydrogen
Zhandos Moldabekov, Sebastian Schwalbe, Maximilian Böhme +5
Hydrogen at extreme temperatures and pressures is ubiquitous throughout our universe and naturally occurs in a variety of astrophysical objects. In addition, it is of key relevance…
Imposing Correct Jellium Response Is Key to Predict the Density Response by Orbital-Free DFT
Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello +3
Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature mate…
Machine Learning Electronic Structure Methods Based On The One-Electron Reduced Density Matrix
Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman +1
The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system…
Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange--correlation kernels
Zhandos A. Moldabekov, Michele Pavanello, Maximilian P. Boehme +2
We present a new methodology for the linear-response time-dependent density functional theory (LR-TDDFT) calculation of the dynamic density response function of warm dense matter i…