Open AccessРелятивистские расчеты химических свойств сверхтяжелого элемента с Z=119 и его гомологов
Author(s) -
I. I. Tupitsyn,
A. V. Malyshev,
Д.А. Глазов,
М.Ю. Кайгородов,
Ю.С. Кожедуб,
И.М. Савельев,
В.М. Шабаев
Publication year - 2021
Publication title -
optika i spektroskopiâ
Language(s) - English
Resource type - Journals
eISSN - 2782-6694
pISSN - 0030-4034
DOI - 10.21883/os.2021.07.51074.2033-21
Subject(s) - relativistic quantum chemistry , atomic physics , perturbation theory (quantum mechanics) , ionization , ionization energy , lamb shift , coupled cluster , atomic orbital , chemistry , atomic number , configuration interaction , physics , electron , ion , quantum mechanics , molecule , excited state
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).