MULTIREFERENCE RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS FOR (D-METAL ATOMIC STATES - APPLICATION TO ZR-II HYPERFINE-STRUCTURE(S)(N) TRANSITION)

Our relativistic configuration-interaction (RCI) methodology has been extended to multireference cases, and improved to permit the construct ion of angular-momentum functions of arbitrary size, and to minimize t he number of vectors needed with each configuration. We report RCI cal culations on the fine (fs) and hyperfine (hfs) structure for the (d s)3 J = 0.5 and 1.5 levels of Zr II. The average fs error is 0.075 eV, and 17% for hfs, when compared to available experiment. These results indicate that it is possible to correctly position all levels of (d s)n configurations in the transition-metal atoms.