Abstract
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 UO2+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 5d atom are compared with corresponding nonrelativistic spin-polarized states.
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