Electronic structure calculation for superheavy elements Livermorium (Lv, Z=116) and Tennessine (Ts, Z=117) and their lighter analogs Te, I, Po, and At

TL;DR

This paper employs advanced quantum chemistry methods to calculate various electronic properties of superheavy elements Livermorium and Tennessine, filling gaps in experimental data and validating methods with lighter analogs.

Contribution

It introduces a combined theoretical approach to accurately predict electronic properties of superheavy elements and their lighter analogs, addressing data gaps and validating computational methods.

Findings

Calculated energy levels, ionization potentials, and polarizabilities for Lv and Ts.

Provided data to supplement experimental measurements for superheavy elements.

Validated computational methods using lighter analogs Te and I.

Abstract

Advanced theoretical techniques that combine the linearized coupled-cluster method, configuration interaction method, and perturbation theory are used to calculate energy levels, ionization potentials, electron affinities, field isotope shift, and static dipole polarizabilities of the superheavy elements Lv and Ts, along with their lighter analogs Te, I, Po, and At. Calculations for the heavy elements, Po, At, Lv, and Ts are used to address the gaps in the experimental data. Calculations for the lighter elements, Te and I (and partly Po and At) are used to demonstrate the accuracy of the calculations.