112 citations · 633 across the 32 of their papers we have counts for
4 papers · 1 filter
Implications of pinned occupation numbers for natural orbital expansions. I: Generalizing the concept of active spaces
Christian Schilling, Carlos L. Benavides-Riveros, Alexandre Lopes +2
The concept of active spaces simplifies the description of interacting quantum many-body systems by restricting to a neighbourhood of active orbitals around the Fermi level. The re…
Machine Learning the Physical Non-Local Exchange-Correlation Functional of Density-Functional Theory
Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques
We train a neural network as the universal exchange-correlation functional of density-functional theory that simultaneously reproduces both the exact exchange-correlation energy an…
Reduced Density Matrix Functional Theory for Superconductors
Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques
We present an \textit{ab initio} theory for superconductors, based on a unique mapping between the statistical density operator at equilibrium, on the one hand, and the correspondi…
On the time evolution of fermionic occupation numbers
Carlos L. Benavides-Riveros, Miguel A. L. Marques
We derive an equation for the time evolution of the natural occupation numbers for fermionic systems with more than two electrons. The evolution of such numbers is connected with t…