Nonlocality in the density-functional description of bonding in Li2, N2, O2, and F2

The fully self-consistent implementation of the nonlocal-density functional of Langreth and Mehl has been used in conjunction with the augmented Gaussian method to calculate the potential-energy curves and dissociation energies of N/sub 2/, Li/sub 2/, O/sub 2/, and F/sub 2/. The nonlocal functional gives ground-state potential-energy curves in very good agreement with experiment. We compare these nonlocal results with other local-density calculations, and examine the effect of nonlocal-potential self-consistency on the dissociation energy.