Strong correlation in Kohn-Sham DFT

ORAL

Abstract

The knowledge on the strong-interacting limit of density functional theory can be used to construct exchange- correlation functionals able to address strongly-correlated systems without introducing any symmetry breaking. We report calculations on semiconductor nanostructures and one-dimensional models for chemical systems, showing that this approach yields quantitatively good results in both the weakly- and the strongly-correlated regimes, with a numerical cost much lower than the traditional wavefunction methods.

*This work has been supported by a VIDI grant of the NWO and a Marie Curie grant within the FP7 programme.

Authors

  • Francesc Malet Giralt

    • Vrije Univ (Free Univ)
  • Andr\'e Mirtschink

    • Vrije Univ (Free Univ)
  • Jonas Cremon

    • Lund University
  • Christian Mendl

    • Technische Universit\"at M\"unchen
  • Klaas Giesbertz

    • Vrije Univ (Free Univ)
  • Stephanie Reimann

    • Lund University
  • Paola Gori-Giorgi

    • Vrije Univ (Free Univ)