Transition energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster method

The relativistic Fock-space coupled-cluster method was applied to the Yb, Lu, and Lr atoms, and to several of their ions. A large number of transition energies was calculated for these systems. Starting from an all-electron Dirac-Fock or Dirac-Fock-Breit function, many electrons (30-40) were correlated to account for core-valence polarization. High-l virtual orbitals were included (up to l=5) to describe dynamic correlation. Comparison with experiment (when available) shows agreement within a few hundred wave numbers in most cases. Fine-structure splittings are even more accurate, within 30 cm^-1 of experiment. Average errors are at least three times smaller than for previous calculations. Two bound states of Lu^- are predicted, 6p5d ¹D₂ and 6p^{2 3}P₀, with binding energies of about 2100 and 750 cm^-1, respectively. The ground state of lawrencium is ²P_1/2, relativistically stabilized relative to ²D_3/2, the ground state of Lu. Two states of the Lr^- anion are bound, 7p^{2 3}P₀ (by 2500 cm^-1) and 7p6d ¹D₂ (by 1300 cm^-1).