Browsing by Subject "Kinetic energy functional"
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(Elsevier, 1997)New local functionals for the kinetic and Hartree-Fock exchange energy of atoms are proposed. They are of the following general form: T[ρ] =22/3CF ∫ ∑σρ5/3 σf(r,ρ σ)dr. The function f(r,ρσ), except for two adjustable ...
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(Taylor and Francis, 2016)In this work, the Lieb-Thirring kinetic energy bound is numerically examined for a variety of systems: the hydrogen-like atoms, neutral atoms, isoelectronic series of atomic ions, the Hooke's atom and some small molecules. ...