Theoretical study of electronic structure of hafnium (Hf, Z=72) and rutherfordium (Rf, Z=104) atoms and their ions: Energy levels and hyperfine structure constants

Abstract

Energy levels, magnetic dipole, and electric quadrupole hyperfine structure of the superheavy element rutherfordium (Rf, $Z$=104) and its first three ions are calculated using a combination of the configuration interaction, coupled-cluster single-doubles, and many-body perturbation theory techniques. The results are to be used in future interpretations of the measurements in terms of nuclear magnetic dipole and electric quadrupole momenta. To have a guide on the accuracy of the study, we perform similar calculations for hafnium (Hf, $Z$=72) and its ions. Hf is a lighter analog of Rf with a similar electronic structure. Good agreement with the experiment for Hf and with available previous calculations of the energy levels of Rf is demonstrated.

10 pages, 4 figures

References in corpus (5)

• Development of a configuration-interaction + all-order method for atomic calculations
• Combining configuration interaction with perturbation theory for atoms with large number of valence electrons
• Atomic properties of superheavy elements No, Lr, and Rf
• Combination of the single-double coupled cluster and the configuration interaction methods; application to barium, lutetium and their ions
• Electronic structure of Rf^+ (Z = 104) from ab initio calculations

Cited by in corpus (3)

• Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements
• King-plot analysis of isotope shifts in simple diatomic molecules
• Calculation of the hyperfine structure of Dy, Ho, Cf, and Es