Spherically and system-averaged pair densities in the strong-interaction limit of density functional theory

ORAL

Abstract

The spherically and system-averaged pair density (also known in chemistry as intracule density) plays a central role in the construction and understanding of exchange-correlation energy functionals in density functional theory. We have calculated the intracule density for several atoms in the strong-interaction limit of density functional theory. Comparison of our results with the same quantities calculated in the opposite limit, the non-interacting Kohn-Sham system, provides useful insight on the nature of electronic correlation in density functional theory.

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Authors

  • Paola Gori-Giorgi

    • Laboratoire Chimie Theorique, CNRS and University Paris VI, Paris, France
    • Laboratoire de Chimie Theorique, CNRS, Universite Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France

  • Andreas Savin

    • Laboratoire Chimie Theorique, CNRS and University Paris VI, Paris, France

  • Michael Seidl

    • Department of Physics, University of Regensburg
    • Institute of Theoretical Physics, University of Regensburg, Regensburg, Germany
    • Institute of Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany