Thermochemical tests of a kinetic-energy dependent exchange-correlation approximation

We test an exchange-correlation functional with explicit dependence on kinetic-energy density as well as the density, its gradient, and its Laplacian, on the Gaussian-2 thermochemical data base. With a small degree of exact-exchange mixing, we find average errors with respect to experiment of order 2 kcal/mol, 0.15 eV, and 2 kcal/mol, respectively, for atomization energies, ionization potentials, and proton affinities. © 1994 John Wiley & Sons, Inc.