90 citations · 558 across the 33 of their papers we have counts for
3 papers · 1 filter
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…
Excited states of molecules in strong uniform and non-uniform magnetic fields
Sangita Sen, Kai K. Lange, Erik I. Tellgren
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The i…