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Optics and Spectroscopy, 2021, Volume 129, Issue 7, Pages 841–847
DOI: https://doi.org/10.21883/OS.2021.07.51074.2033-21
(Mi os94)
 

This article is cited in 3 scientific papers (total 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
Full-text PDF (137 kB) Citations (3)
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.
Funding agency Grant number
Russian Foundation for Basic Research 20-21-00098
The reported study was funded by Russian Foundation for Basic Research and ROSATOM, project no. 20-21-00098.
Received: 20.03.2021
Revised: 20.03.2021
Accepted: 30.03.2021
English version:
Optics and Spectroscopy, 2021, Volume 129, Issue 9, Pages 1038–1044
DOI: https://doi.org/10.1134/S0030400X21070213
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: I. I. Tupitsyn, A. V. Malyshev, D. A. Glazov, M. Yu. Kaygorodov, Yu. S. Kozhedub, I. M. Savelyev, V. M. Shabaev, “Relativistic calculations of the chemical properties of the superheavy element with $Z$ = 119 and its homologues”, Optics and Spectroscopy, 129:7 (2021), 841–847; Optics and Spectroscopy, 129:9 (2021), 1038–1044
Citation in format AMSBIB
\Bibitem{TupMalGla21}
\by I.~I.~Tupitsyn, A.~V.~Malyshev, D.~A.~Glazov, M.~Yu.~Kaygorodov, Yu.~S.~Kozhedub, I.~M.~Savelyev, V.~M.~Shabaev
\paper Relativistic calculations of the chemical properties of the superheavy element with $Z$ = 119 and its homologues
\jour Optics and Spectroscopy
\yr 2021
\vol 129
\issue 7
\pages 841--847
\mathnet{http://mi.mathnet.ru/os94}
\crossref{https://doi.org/10.21883/OS.2021.07.51074.2033-21}
\elib{https://elibrary.ru/item.asp?id=46489891}
\transl
\jour Optics and Spectroscopy
\yr 2021
\vol 129
\issue 9
\pages 1038--1044
\crossref{https://doi.org/10.1134/S0030400X21070213}
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  • https://www.mathnet.ru/eng/os/v129/i7/p841
  • This publication is cited in the following 3 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    Optics and Spectroscopy Optics and Spectroscopy
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