SELF-INTERACTION CORRECTION AND RELATIVISTIC EXCHANGE ON THE CORE STATES AND CORE HYPERFINE FIELDS IN FE, CO, AND NI

Local density calculations with self-interaction-corrected core states are reported for the transition-metal ferromagnets Fe, Co, and Ni. Th e hyperfine field matrix elements have been computed. Good agreement w ith measurements is obtained for Co, whereas for Fe and Ni the discrep ancy between local density theory and experiment remains also in the s elf-interaction-corrected calculation. Possible changes in the core st ates due to relativistic exchange corrections are also discussed and f ound to be of minor importance.