collaborators

1 paper

physics.chem-ph2024

Multiconfigurational short-range on-top pair-density functional theory

Frederik Kamper Jørgensen, Erik Rosendahl Kjellgren, Hans Jørgen Aagaard Jensen +1

We present the theory and implementation of a fully variational wave function -- density functional theory (DFT) hybrid model, which is applicable to many cases of strong correlati…