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

Standard

Relativistic Calculations of the Chemical Properties of the Superheavy Element with Z = 119 and Its Homologues. / Tupitsyn, I. I.; Malyshev, A. V.; Glazov, D. A.; Kaygorodov, M. Y.; Kozhedub, Y. S.; Savelyev, I. M.; Shabaev, V. M.

в: OPTICS AND SPECTROSCOPY, 26.12.2021.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{339c05a6b8f74b029d280c643984f5eb,

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

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).",

keywords = "alkali metals, configuration-interaction method, correlation effects, electron affinities, ionization potentials, quantum electrodynamics corrections, relativistic effects, superheavy elements, superheavy elements, alkali metals, relativistic effects, correlation effects, quantum electrodynamics corrections, configuration-interaction method, ionization potentials, electron affinities",

author = "Tupitsyn, {I. I.} and Malyshev, {A. V.} and Glazov, {D. A.} and Kaygorodov, {M. Y.} and Kozhedub, {Y. S.} and Savelyev, {I. M.} and Shabaev, {V. M.}",

note = "Publisher Copyright: {\textcopyright} 2021, Pleiades Publishing, Ltd.",

year = "2021",

month = dec,

day = "26",

doi = "10.1134/S0030400X21070213",

language = "English",

journal = "OPTICS AND SPECTROSCOPY",

issn = "0030-400X",

publisher = "Pleiades Publishing",

}

RIS

TY - JOUR

T1 - Relativistic Calculations of the Chemical Properties of the Superheavy Element with Z = 119 and Its Homologues

AU - Tupitsyn, I. I.

AU - Malyshev, A. V.

AU - Glazov, D. A.

AU - Kaygorodov, M. Y.

AU - Kozhedub, Y. S.

AU - Savelyev, I. M.

AU - Shabaev, V. M.

PY - 2021/12/26

Y1 - 2021/12/26

N2 - 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).

AB - 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).

KW - alkali metals

KW - configuration-interaction method

KW - correlation effects

KW - electron affinities

KW - ionization potentials

KW - quantum electrodynamics corrections

KW - relativistic effects

KW - superheavy elements

KW - alkali metals

KW - relativistic effects

KW - correlation effects

KW - quantum electrodynamics corrections

KW - configuration-interaction method

KW - ionization potentials

KW - electron affinities

UR - http://www.scopus.com/inward/record.url?scp=85121790652&partnerID=8YFLogxK

U2 - 10.1134/S0030400X21070213

DO - 10.1134/S0030400X21070213

M3 - Article

AN - SCOPUS:85121790652

JO - OPTICS AND SPECTROSCOPY

JF - OPTICS AND SPECTROSCOPY

SN - 0030-400X

ER -

ID: 90823770