2012/05/21 by André Mirtschink, Michael Seidl, Paola Gori-Giorgi · 1 citation
Physics and Astronomy · #physics.chem-ph #cond-mat.str-el
published as J. Chem. Theory Comput. 8, 3097 (2012) · 12 pages
arxiv created 2012/05/21 · arxiv updated 2012/11/14
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.