Atomic properties of superheavy elements No, Lr, and Rf

TL;DR

This paper presents advanced atomic calculations of superheavy elements No, Lr, and Rf, including relativistic and QED effects, to determine their excitation energies, ionization potentials, and polarizabilities, with accuracy assessments.

Contribution

It introduces a combined configuration interaction and coupled-cluster approach with relativistic corrections for superheavy elements, improving accuracy over previous methods.

Findings

Calculated excitation energies, ionization potentials, and polarizabilities for No, Lr, and Rf.

Included Breit and QED corrections in the calculations.

Estimated uncertainties and validated methods against lighter analogs.

Abstract

The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements nobelium, lawrencium and rutherfordium. Breit and quantum electrodynamic corrections are also included. The results for the superheavy elements are compared with earlier calculations where available. Similar calculations for lighter analogs, ytterbium, lutetium, and hafnium are used to study the accuracy of the calculations. The estimated uncertainties of the final results are discussed.