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arxiv: 1205.4522 · v1 · pith:7FGPEVBEnew · submitted 2012-05-21 · ⚛️ physics.chem-ph · cond-mat.str-el

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

classification ⚛️ physics.chem-ph cond-mat.str-el
keywords densitiesenergydensityexactexchange-correlationfunctionalgaugelimit
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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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