Browsing by Subject "Kinetic energy functional"

Now showing items 1-2 of 2

    • Modified local exchange and kinetic energy functionals for atomic systems 
      Fuentealba, (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 ...
    • A numerical study of the Lieb-Thirring kinetic energy lower bound 
      Inostroza, David; Cárdenas Valencia, Carlos; Fuentealba Rosas, Patricio (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. ...