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Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
John P. Perdew, Lucian A. Constantin
We construct a Laplacian-level meta-generalized gradient approximation (meta-GGA) for the non-interacting (Kohn-Sham orbital) positive kinetic energy density of an electronic g…
Wavevector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: detailed support for nonempirical density functionals
J. M. Pitarke, L. Constantin, J. P. Perdew
We report the first three-dimensional wavevector analysis of the jellium exchange-correlation (xc) surface energy in the random-phase approximation (RPA). The RPA accurately descri…
Relevance of the slowly-varying electron gas to atoms, molecules, and solids
John P. Perdew, Lucian A. Constantin, Espen Sagvolden +1
Under a certain scaling, the electron densities of finite systems become both large and slowly-varying, so that the gradient expansions of the density functionals for the Kohn-Sham…