Energy densities in the strong-interaction limit of density functional theory

André Mirtschink; Michael Seidl; Paola Gori-Giorgi

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arXiv · 1205.4522

Energy densities in the strong-interaction limit of density functional theory

André Mirtschink·Michael Seidl·Paola Gori-Giorgi

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Abstract

We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small atoms and small model quantum dots are compared with available approximations defined in the same gauge. The idea of a local interpolation along the adiabatic connection is discussed, comparing the energy densities of the Kohn-Sham, the physical, and the strong-interacting systems. We also use our results to analyze the local version of the Lieb-Oxford bound, widely used in the construction of approximate exchange-correlation functionals.

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André Mirtschink, Michael Seidl, Paola Gori-Giorgi. 2012-05-21. Energy densities in the strong-interaction limit of density functional theory. https://arxiv.org/abs/1205.4522

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