Kinetic energy density study of some representative semilocal kinetic energy functionals

摘要: There is a number of explicit kinetic energy density functionals for noninteracting electron systems that are obtained in terms the and its derivatives. These semilocal have been widely used literature. In this work, we present comparative study these functionals, stressing importance local behavior to assess quality functionals. We propose factor measures differences between usual orbital-based distributions approximated ones, allowing us ensure if good results total energies with due their correct performance or error cancellations. also included contributions coming from Laplacian work an infinite set densities. For all but one found success evaluation global cancellations, whereas becomes worse than corresponding Thomas-Fermi functional.