Browsing by Author "Constantin, Lucian A."

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      Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces 

      Constantin, Lucian A.; Perdew, John P.; Pitarke de la Torre, José María ORCID (American Physical Society, 2009-02)
      We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the Perdew-Burke-Ernzerhof ...
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      Position-dependent exact-exchange energy for slabs and semi-infinite jellium 

      Horowitz, Claudio M.; Constantin, Lucian A.; Proetto, C. R.; Pitarke de la Torre, José María ORCID (American Physical Society, 2009-12)
      The position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as the interaction between a given electron at z and its exact-exchange hole) at metal surfaces is investigated, by using either jellium slabs ...