Valence calculations of lanthanide anion binding energies: 6p and 6s attachments to 4 fm (5d+6s+6p)3 thresholds

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Relativistic configuration-interaction calculations have been performed for anion states representing 6p attachments to 4 fm 5d6 s2 states in Gd and Tb as well as 6s attachments to 4 fm 5 d2 6s thresholds in Pr and Gd. The 4f subshell was treated as corelike with the same occupancy in all correlation configurations, and recently developed methods for reducing the complexity of the 4 fm subgroup were also employed. Results predict a single weakly bound (24 meV) even state for Pr-, 12 even states and three odd states for Gd- (the lowest level having an electron affinity of 234 meV), and six odd states for Tb-. The lowest 4 f8 5d6 s2 6p Tb- state is bound relative to the neutral 4 f9 6 s2 ground state by 88 meV, indicating that the Tb- ground state may actually be an attachment to the first excited state of the neutral atom. Revised calculations and analyses of the much simpler Lu-, La-, and Ce- anions are also presented. © 2009 The American Physical Society.

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Physical Review A - Atomic, Molecular, and Optical Physics