60 citations · 557 across the 44 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…
Geometry of Degeneracy in Potential and Density Space
Markus Penz, Robert van Leeuwen
In a previous work [J. Chem. Phys. 155, 244111 (2021)], we found counterexamples to the fundamental Hohenberg-Kohn theorem from density-functional theory in finite-lattice systems…
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-…
Fully self-consistent optimized effective potentials from a convex minimization problem
Erik I. Tellgren, Andre Laestadius, Markus Penz
The optimized effective potential method is formulated as a convex minimization problem. This formulation does not require assumptions about -representability nor functional dif…