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- W2058108325 abstract "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 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$ of experiment. Average errors are at least three times smaller than for previous calculations. Two bound states of ${mathrm{Lu}}^{mathrm{ensuremath{-}}}$ are predicted, 6p5d $^{1}$${mathit{D}}_{2}$ and 6${mathit{p}}^{2}$ $^{3}$${mathit{P}}_{0}$, with binding energies of about 2100 and 750 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$, respectively. The ground state of lawrencium is $^{2}$${mathit{P}}_{1/2}$, relativistically stabilized relative to $^{2}$${mathit{D}}_{3/2}$, the ground state of Lu. Two states of the ${mathrm{Lr}}^{mathrm{ensuremath{-}}}$ anion are bound, 7${mathit{p}}^{2}$ $^{3}$${mathit{P}}_{0}$ (by 2500 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$) and 7p6d $^{1}$${mathit{D}}_{2}$ (by 1300 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$)." @default.
- W2058108325 created "2016-06-24" @default.
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- W2058108325 date "1995-07-01" @default.
- W2058108325 modified "2023-10-03" @default.
- W2058108325 title "Transition energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster method" @default.
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- W2058108325 doi "https://doi.org/10.1103/physreva.52.291" @default.
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