Relativistic configuration interaction plus linearized-coupled-cluster calculations ofU 2 + energies,g factors, transition rates, and lifetimes
Author(s) -
Igor Savukov,
M. S. Safronova,
M. S. Safronova
Publication year - 2015
Publication title -
physical review a
Language(s) - English
Resource type - Journals
eISSN - 1094-1622
pISSN - 1050-2947
DOI - 10.1103/physreva.92.052516
Subject(s) - physics , atomic physics , perturbation theory (quantum mechanics) , excitation , ion , configuration interaction , valence (chemistry) , coupled cluster , electron , relativistic quantum chemistry , cluster (spacecraft) , excited state , nuclear physics , quantum mechanics , molecule , computer science , programming language
Excitation energies, term designations, $g$ factors, transition rates, and lifetimes of ${\mathrm{U}}^{2+}$ are determined using a relativistic configuration interaction (CI) + linearized-coupled-cluster (LCC) approach. The CI-LCC energies are compared with CI + many-body-perturbation-theory (MBPT) and available experimental energies. Close agreement has been found with experiment, within hundreds of ${\mathrm{cm}}^{\ensuremath{-}1}$. In addition, lifetimes of higher levels have been calculated for comparison with three experimentally measured lifetimes, and close agreement has been found within the experimental error. CI-LCC calculations constitute a benchmark test of the CI + all-order method in complex relativistic systems such as actinides and their ions with many valence electrons. The theory yields many energy levels, $g$ factors, transition rates, and lifetimes of ${\mathrm{U}}^{2+}$ that are not available from experiment. The theory can be applied to other multivalence atoms and ions, which would be of interest to many applications.
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