59 citations · 175 across the 15 of their papers we have counts for
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Density-potential inversion from Moreau-Yosida regularization
Markus Penz, Mihály A. Csirik, Andre Laestadius
For a quantum-mechanical many-electron system, given a density, the Zhao-Morrison-Parr method allows to compute the effective potential that yields precisely that density. In this…
The structure of the density-potential mapping. Part I: Standard density-functional theory
Markus Penz, Erik I. Tellgren, Mihály A. Csirik +2
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by…
Exchange energies with forces in density-functional theory
Nicolas Tancogne-Dejean, Markus Penz, Andre Laestadius +3
We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-…