Ab initio calculations of the electronic structure of Ac+

TL;DR

This paper uses advanced relativistic quantum methods to accurately predict the electronic structure of Ac+ ions, aiding experimental spectroscopy of heavy elements like actinium.

Contribution

It applies state-of-the-art relativistic calculations to predict energy levels and hyperfine structures of Ac+ for the first time, supporting experimental design.

Findings

Calculated energy levels closely match experimental data.

Predicted hyperfine structure parameters with high accuracy.

Proposed experimental schemes for laser resonance chromatography.

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.