60 citations · 557 across the 44 of their papers we have counts for
45 papers
Quantum electrodynamics of equilibrium systems: A rigorous Maxwell-regularized functional-theoretic formulation
Markus Penz, Christian Jöns, Michael Ruggenthaler +1
A framework for quantum electrodynamics of equilibrium systems is proposed that takes the Maxwell equations as foundational and links them to the structure of density-functional th…
Moreau-Yosida-based Kohn-Sham Inversion for Periodic Systems
Vebjørn H. Bakkestuen, Michael F. Herbst, Vegard Falmår +2
Density-potential inversion for periodic systems within Moreau-Yosida-regularised density-functional theory is investigated, both theoretically and numerically. We develop the fram…
Unified Framework for Functional Theories of Quantum Systems
Chih-Chun Wang, Julia Liebert, Markus Penz +1
We introduce and study a unified framework for density-functional theory and its variants for quantum systems on finite-dimensional Hilbert spaces. These theories seek to reduce th…
Capturing electron correlation at mean-field cost: Assessment of i-DMFT and the underlying correlation conjecture
Paul G. Graf, Florian Matz, Lexin Ding +3
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed…
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…
v-Representability on a one-dimensional torus at elevated temperatures
Sarina M. Sutter, Markus Penz, Michael Ruggenthaler +2
We extend a previous result [Sutter et al., J. Phys. A: Math. Theor. 57, 475202 (2024)] to give an explicit form of the set of -representable densities on the one-dimensional to…