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Entanglement Theory Quantum Correlations

Atomic properties of actinide ions with particle-hole configurations

arXiv
Authors: M. S. Safronova, U. I. Safronova, M. G. Kozlov

Year

2017

Paper ID

2579

Status

Preprint

Abstract Read

~2 min

Abstract Words

116

Citations

N/A

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 homologue actinide ions Th4+ and U6+ which are of experimental interest due to a puzzle associated with the resonant excitation Stark ionization spectroscopy (RESIS) method. These ions are also of interest to actinide chemistry and this is the first precision calculation of their atomic properties.

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  • 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...

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