60 citations · 557 across the 44 of their papers we have counts for
47 papers
Adding Temperature to the Adiabatic Connection: Hybrid Functionals for Static and Dynamic Correlation
Florian Matz, Paul G. Graf, Markus Penz +1
Capturing static and dynamic electron correlation simultaneously at manageable computational cost remains a key challenge in electronic structure theory. Motivated by the recurring…
Putting a Temperature on Electron Correlation
Paul G. Graf, Florian Matz, Markus Penz +1
It is common wisdom that a better understanding of how to quantify electron correlation should lead to more efficient treatments of the correlation problem. Here, we not only subst…
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…