Further evidence of the conjoint correction to the local kinetic and exchange energy density functionals

Abstract

Further evidence is shown that a kinetic energy functional can be used as an exchange energy functional and, conversely, exchange used as a kinetic energy functional, with a proper transformation of energy as a functional of the density. We have used functionals with two adjustable parameters to determine the kinetic exchange energies of the atoms from He to Ar and some diatomic molecules. The results fit the Hartree-Fock energies with remarkable accuracy.