59 citations · 377 across the 38 of their papers we have counts for
3 papers · 1 filter
One-Dimensional Lieb-Oxford Bounds
Andre Laestadius, Fabian M Faulstich
We investigate and prove Lieb-Oxford bounds in one dimension by studying convex potentials that approximate the ill-defined Coulomb potential. A Lieb-Oxford inequality establishes…
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions
Markus Penz, Andre Laestadius, Erik I. Tellgren +1
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions witha Moreau-Yosida regularized universal Lieb functional and an adaptive damping step i…
Kohn-Sham theory with paramagnetic currents: compatibility and functional differentiability
Andre Laestadius, Erik I. Tellgren, Markus Penz +3
Recent work has established Moreau-Yosida regularization as a mathematical tool to achieve rigorous functional differentiability in density-functional theory. In this article, we e…