A self-interaction-corrected local-density approximation to the exchange part of the exchange-correlation functional is proposed. The method is based on the Rae exchange energy of an N-electron homogeneous gas and it gives rise to a one-electron equation where the exchange potential is a function of the number of electrons present in each shell. The results of the calculations of usual atomic properties, such as total and one-electron energies, electron affinities, and ionization potentials, are also presented, as well as the comparison with other approximations. In general, a very good agreement is found between the results of the method of this paper and the Hartree-Fock values and, when it is combined with a standard expression for correlation, with the experimental results.

• Received 30 December 1985

DOI:https://doi.org/10.1103/PhysRevA.34.769