Atomic properties of superheavy elements No, Lr, and Rf

Abstract

The combination of the configuration interaction method and all-order single-double coupledcluster 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.

Spectra of barium, radium, and element 120: Application of the combined correlation-potential, singles-doubles, and configuration-interactionab initiomethods

“…This method was recently developed by Dzuba in Ref. [25] and is similar to the combined SD+CI method developed by Safronova et al [32].…”

“…It was shown in Ref. [25] that high accuracy in excitation energies can be obtained with this choice.…”

“…The method used in this work has already been applied to the low-lying levels of barium in Ref. [25]. Here we extend the application to the excitation energies of the lowest 31 levels.…”

“…There are also recent measurements of a few transition frequencies and lifetimes [22][23][24]. In this work we use a recently-developed approach that combines the correlation potential, singlesdoubles coupled-cluster, and configuration interaction methods [25] to the radium spectra. We have found unprecedented agreement between theory and experiment for most levels using this ab initio method.…”

Measurement of the first ionization potential of lawrencium, element 103

“…The ground-state electronic configuration of Lr is predicted to be [Rn]5f 14 7s 2 7p 1/2 , in contrast to that of its lanthanide homolog Lu, [Xe]4f 14 6s 2 5d, as the 7p 1/2 orbital is expected to be stabilized below the 6d orbital in Lr by strong relativistic effects [14][15][16][17][18] .…”