Applications of the dirac‐slater model to molecules

Applications of the Dirac Slater model to obtain relativistic energy levels and wave functions for molecules are reported. Results are presented for the uranyl ion UO 2+ 2 , calculated by a discrete‐variational method using numerical free‐atom basis functions. A simple moment polarized generalization of the Slater exchange potential is proposed for treating open‐shell systems; results for a 5 d atom are compared with corresponding nonrelativistic spin‐polarized states.