  The first order gradient correction to the Thomas-Fermi functional, proposed
by Haq, Chattaraj and Deb (Chem. Phys. Lett. vol. 81, 8031, 1984) has been
studied by evaluating both the total kinetic energy and the local kinetic
energy density. For testing the kinetic energy density we evaluate its
deviation from an exact result through a quality factor, a parameter that
reflects the quality of the functionals in a better way than their relative
errors. The study is performed on two different systems: light atoms (up to
Z=18) and a noninteracting model of fermions confined in a Coulombic-type
potential. It is found than this approximation gives very low relative errors
and a better local behavior than any of the usual generalized gradient
approximation semilocal kinetic density functionals.

Other Condensed Matter;Chemical Physics