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• W2095306992 endingPage "3056" @default.
• W2095306992 startingPage "3050" @default.
• W2095306992 abstract "The relativistic coupled-cluster method is used to calculate ionization potentials and excitation energies of the barium and radium atoms and their monocations. Large basis sets are used, with l up to 5, the Dirac-Fock or Dirac-Fock-Breit orbitals found, and the external 28 electrons of barium or 42 electrons of radium are correlated by the coupled-cluster method with single and double excitations. Good agreement (within a few hundred wave numbers) is obtained for the ionization potentials and low excitation energies (up to 3 eV for Ba, 4 eV for Ra). The Breit interaction has little effect on the excitation energies, but it improves significantly the fine-structure splittings of Ra. Large relativistic effects on the energies are observed, up to 1 eV for barium and 2 eV for radium. The nonrelativistic ground states of ${mathrm{Ba}}^{+}$ and ${mathrm{Ra}}^{+}$ are (n-1)d $^{2}$D rather than ns $^{2}$S. textcopyright{} 1996 The American Physical Society." @default.
• W2095306992 created "2016-06-24" @default.
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• W2095306992 date "1996-05-01" @default.
• W2095306992 modified "2023-10-04" @default.
• W2095306992 title "Transition energies of barium and radium by the relativistic coupled-cluster method" @default.
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• W2095306992 doi "https://doi.org/10.1103/physreva.53.3050" @default.
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