Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

Abstract Two recently published density functionals (A.D. Becke, J. Chem. Phys. 88 (1988) 1053 and C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (1988) 785) are used to calculate the correlation energies of first-row atoms, ions and molecules. The correlation contributions to ionization energies, electron affinities and dissociation energies thus obtained are of comparable quality to those of other density functionals.