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Ab initio calculations of the electronic structure of Ac+

Genevieve Geehan, Marten Luit Reitsma, Johan David Polet, Mustapha Laatiaoui, Julian Berengut, Anastasia Borschevsky

Abstract

Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong theoretical support. Laser resonance chromatography (LRC) is a promising approach for heavy ion spectroscopy, in particularly for metals with low vapour pressure, such as actinium. We have employed the state-of-the-art relativistic Fock space coupled cluster approach as well as the configuration interaction with many-body perturbation theory method to calculate the energy levels, the transition amplitudes, the branching ratios, and the hyperfine structure parameters of the lowest excited states in Ac+. Knowledge of these properties is required for the design of experiments. Our calculations are in close agreement with experimental transition energies, leading us to expect a similar level of accuracy for the calculated hyperfine structure parameters. Based on these predictions, two possible experimental schemes are proposed for the planned LRC measurements.

Ab initio calculations of the electronic structure of Ac+

Abstract

Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong theoretical support. Laser resonance chromatography (LRC) is a promising approach for heavy ion spectroscopy, in particularly for metals with low vapour pressure, such as actinium. We have employed the state-of-the-art relativistic Fock space coupled cluster approach as well as the configuration interaction with many-body perturbation theory method to calculate the energy levels, the transition amplitudes, the branching ratios, and the hyperfine structure parameters of the lowest excited states in Ac+. Knowledge of these properties is required for the design of experiments. Our calculations are in close agreement with experimental transition energies, leading us to expect a similar level of accuracy for the calculated hyperfine structure parameters. Based on these predictions, two possible experimental schemes are proposed for the planned LRC measurements.
Paper Structure (11 sections, 11 equations, 1 figure, 6 tables)

This paper contains 11 sections, 11 equations, 1 figure, 6 tables.

Table of Contents

  1. Introduction
  2. Computational methods
  3. FSCC calculations
  4. CI+MBPT+Br Method
  5. Results
  6. Energies
  7. Lifetimes
  8. Hyperfine Structure Parameters
  9. Potential optical pumping schemes for LRC
  10. Conclusion
  11. Computational investigations

Figures (1)

  • Figure 1: Level scheme for the lowest levels in Ac$^+$. Two possible optical pumping schemes are indicated by solid and dashed arrows of different colors. The percentage numbers given are the calculated branching fractions to metastable states $^3$D$_1$ and $^3$D$_2$.