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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
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
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
Linking options:
https://www.mathnet.ru/eng/os94 https://www.mathnet.ru/eng/os/v129/i7/p841
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