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

TL;DR

This paper presents relativistic quantum calculations of the chemical properties of the superheavy element with atomic number 119 and its homologues, highlighting significant relativistic effects and QED corrections compared to non-relativistic models.

Contribution

The study introduces advanced relativistic and QED calculations for element 119 and its homologues, providing new insights into their electronic structure and chemical properties.

Findings

Relativistic effects significantly alter ionization potentials and electron affinities.

Quantum electrodynamics corrections impact the ionization potentials.

Relativistic calculations show deviations from non-relativistic predictions.

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).