Relativistic Calculations of the Chemical Properties of the Superheavy Element with Z = 119 and Its Homologues

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Abstract

Abstract: Relativistic calculations of the electronic structure of the superheavy element of the eighth period—eka-francium (Z = 119) and its homologues, which form the group of alkali metals, are performed in the framework of the configuration-interaction method and many-body perturbation theory using the basis of the Dirac–Fock–Sturm orbitals (DFS). The obtained values of the ionization potentials, electron affinities, and root-mean-square radii are compared with the corresponding values calculated within the nonrelativistic approximation. A comparison with the available experimental data and the results of previous theoretical calculations is given as well. The analysis of the obtained results indicates a significant influence of the relativistic effects for the francium and eka-francium atoms, which leads to a violation of the monotonic behaviour of the listed above chemical properties as a function of the alkaline-element atomic number. In addition, the quantum electrodynamics corrections to the ionization potentials are evaluated by employing the model Lamb-shift operator (QEDMOD).

Original languageEnglish
JournalOPTICS AND SPECTROSCOPY
DOIs
StateE-pub ahead of print - 26 Dec 2021

Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Keywords

  • alkali metals
  • configuration-interaction method
  • correlation effects
  • electron affinities
  • ionization potentials
  • quantum electrodynamics corrections
  • relativistic effects
  • superheavy elements

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