Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

We consider kinetic energy functionals that depend, beside the usual semilocal quantities (density, gradient, Laplacian of the density), on a generalized Yukawa potential, that is the screened Coulomb potential of the density raised to some power. These functionals, named Yukawa generalized gradient...

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Bibliographic Details
Main Authors: Eduardo Fabiano, Fulvio Sarcinella, Lucian A. Constantin, Fabio Della Sala
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Computation
Subjects:
Online Access:https://www.mdpi.com/2079-3197/10/2/30