Imposing Correct Jellium Response Is Key to Predict the Density Response by Orbital-Free DFT - Moldabekov, Zhandos A; Shao, Xuecheng; Pavanello, Michele; Vorberger, Jan; Graziani, Frank; Dornheim, Tobias (arXiv.org, 2023)
Keywords: Accuracy; Aluminum; Density functional theory; Electron gas; Face centered cubic lattice; Jellium; Kinetic energy; Nonlinear response; Perturbation; Physics - Computational Physics; Physics - Materials Science; Physics - Mesoscale and Nanoscale Physics; Response functions; Room temperature; System effectiveness