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math.NA2026
Moreau-Yosida-based Kohn-Sham Inversion for Periodic Systems
Vebjørn H. Bakkestuen, Michael F. Herbst, Vegard Falmår +2
Density-potential inversion for periodic systems within Moreau-Yosida-regularised density-functional theory is investigated, both theoretically and numerically. We develop the fram…
math-ph2026
The non-uniform electron gas
Mihaly A. Csirik, Andre Laestadius
The non-uniform (or inhomogeneous) electron gas has received much attention in many-body quantum mechanics and quantum chemistry in the early days of density functional theory, mai…