59 citations · 377 across the 38 of their papers we have counts for
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A quantitative Hohenberg-Kohn theorem and the unexpected regularity of density functional theory in one spatial dimension
Thiago Carvalho Corso, Andre Laestadius
In this paper we investigate the (Kohn-Sham) density-to-potential map in the case of spinless fermions in one spatial dimension, whose existence has been rigorously established by…
Neural network approximation of regularized density functionals
Mihály A. Csirik, Andre Laestadius, Mathias Oster
Density functional theory is one of the most efficient and widely used computational methods of quantum mechanics, especially in fields such as solid state physics and quantum chem…
Perspective on Moreau-Yosida Regularization in Density-Functional Theory
Markus Penz, Michael F. Herbst, Trygve Helgaker +1
Within density-functional theory, Moreau-Yosida regularization enables both a reformulation of the theory and a mathematically well-defined definition of the Kohn-Sham approach. It…
Regularised density-potential inversion for periodic systems: application to exact exchange in one dimension
Oliver M. Bohle, Maryam Lotfigolian, Andre Laestadius +1
A detailed convex analysis-based formulation of density-functional theory for periodic systems in arbitrary dimensions is presented. The electron-electron interaction is taken to b…
Adaptation of Moreau-Yosida regularization to the modulus of convexity
Markus Penz, Andre Laestadius
We study a generalization of Moreau-Yosida regularization that is adapted to the geometry of Banach spaces where the dual space is uniformly convex with modulus of convexity of pow…