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 La3+. We apply our method for homolog actinide ions Th4+ and U6+ 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.

Publication Details
Publication Type
Journal Article
Year of Publication
2018
Volume
97
DOI
10.1103/PhysRevA.97.012511
Journal
Physical Review A
Contributors
Groups