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- W1983007091 abstract "Multiconfiguration Dirac-Fock and relativistic coupled cluster results are reported for electron affinities, ionization potentials, and excitation energies of Tl and element 113 and their cations. Large basis sets are used, with l up to 6, the Dirac-Fock or Dirac-Fock-Breit orbitals found, and the external 35 electrons of each atom are correlated by the coupled-cluster method with single and double excitations. Very good agreement with experiment is obtained for the Tl transition energies. As in the case of elements 111 [Eliav et al., Phys. Rev. Lett. 73, 3203 (1994)] and 112 [Eliav, Kaldor, and Ishikawa, Phys. Rev. A 52, 2765 (1995)], strong relativistic stabilization of the 7s orbital is observed for E113, leading to dramatic reduction (relative to Tl) in the energies of excitation from ${mathit{d}}^{10}$ to ${mathit{d}}^{9}$ levels. Thus the ${mathit{d}}^{10}$sensuremath{rightarrow}${mathit{d}}^{9}$${mathit{s}}^{2}$ energy of ${mathrm{E}113}^{2+}$ is 0.1 eV, compared to 8 eV for ${mathrm{Tl}}^{2+}$. It is predicted that divalent or trivalent compounds of E113 with an open 6${mathit{d}}^{9}$ shell could possibly exist. The calculated electron affinities of Tl and E113 are 0.40ifmmodepmelsetextpmfi{}0.05 and 0.6--0.7 eV, respectively. textcopyright{} 1996 The American Physical Society." @default.
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- W1983007091 date "1996-06-01" @default.
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- W1983007091 title "Calculated energy levels of thallium and eka-thallium (element 113)" @default.
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- W1983007091 doi "https://doi.org/10.1103/physreva.53.3926" @default.
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