Density functional calculations for atoms in the first transition series

s-d interconfigurational energies and spin-flip energies for atoms in the first transition series are examined in the self-interaction-corrected local spin density approximation (SIC-LSDA). The results are substantially improved over previous LSDA calculations and SIC-LSDA calculations employing sphericalized orbital densities. The implications for accurate cohesive energy calculations and molecular bonding in iron-series dimers are discussed.