Valence calculations of lanthanide anion binding energies: 6p attachments to 4 f n 6 s2 thresholds

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Relativistic configuration-interaction calculations have been performed for anion states representing 6p attachments to all lanthanides with 4 f n 6 s2 ground states. The complexity of these systems requires a corelike treatment of the 4f subshell (same occupancy in all correlation configurations), and the methodology of creating jls restrictions on the 4 f n subgroup has been improved to include the mixing of LS terms from individual neutral J calculations. Results show a nearly linear decrease in electron affinity with n for these lanthanides from 177 meV for Pr- (n=3) to 22 meV for Tm- (n=13). © 2008 The American Physical Society.

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Physical Review A - Atomic, Molecular, and Optical Physics