Atomic properties of actinide ions with particle-hole configurations

M. S. Safronova, U. I. Safronova, and M. G. Kozlov

Phys. Rev. A 97, 012511 – Published 25 January 2018

Abstract

We study the effects of higher-order electronic correlations in the systems with particle-hole excited states using a relativistic hybrid method that combines configuration interaction and linearized coupled-cluster approaches. We find the configuration interaction part of the calculation sufficiently complete for eight electrons while maintaining good quality of the effective coupled-cluster potential for the core. Excellent agreement with experiment was demonstrated for a test case of ${La}^{3 +}$ . We apply our method for homolog actinide ions ${Th}^{4 +}$ and $U^{6 +}$ which are of experimental interest due to a puzzle associated with the resonant excitation Stark ionization spectroscopy method. These ions are also of interest to actinide chemistry.

Received 21 December 2017

DOI:https://doi.org/10.1103/PhysRevA.97.012511

Physics Subject Headings (PhySH)

Atomic & molecular structure

Ions

First-principles calculations

Atomic, Molecular & Optical

Authors & Affiliations

M. S. Safronova^1,2, U. I. Safronova³, and M. G. Kozlov^4,5

¹Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, USA
²Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, College Park, Maryland 20742, USA
³University of Nevada, Reno, Nevada 89557, USA
⁴Petersburg Nuclear Physics Institute of NRC “Kurchatov Institute,” Gatchina 188300, Russia
⁵St. Petersburg Electrotechnical University “LETI,” Prof. Popov Str. 5, St. Petersburg 197376, Russia