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JOURNALS // Optics and Spectroscopy // Archive

Optics and Spectroscopy, 2021 Volume 129, Issue 7, Pages 841–847 (Mi os94)

This article is cited in 3 papers

Spectroscopy and physics of atoms and molecules

Relativistic calculations of the chemical properties of the superheavy element with $Z$ = 119 and its homologues

I. I. Tupitsyn, A. V. Malyshev, D. A. Glazov, M. Yu. Kaygorodov, Yu. S. Kozhedub, I. M. Savelyev, V. M. Shabaev

Saint Petersburg State University

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 non-relativistic 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).

Keywords: superheavy elements, alkali metals, relativistic effects, correlation effects, quantum electrodynamics corrections, configuration-interaction method, ionization potentials, electron affinities.

Received: 20.03.2021
Revised: 20.03.2021
Accepted: 30.03.2021

DOI: 10.21883/OS.2021.07.51074.2033-21


 English version:
Optics and Spectroscopy, 2021, 129:9, 1038–1044

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© Steklov Math. Inst. of RAS, 2025