ORBITAL FUNCTIONAL FOR EXCHANGE AND CORRELATION - SELF-INTERACTION CORRECTION TO THE LOCAL DENSITY APPROXIMATION

The local spin-density approximation (LSDA) for electronic exchange and correlation is corrected by subtraction of the residual self-interaction of each orbital, yielding an orbital functional theory as a direct generalization of density functional theory. In contrast to results of LSDA or Xα, accurate results are obtained for the total and correlation energies of light atoms, the long-range behavior of the density, and the stability of negative ions. © 1979.