Multiconfiguration calculations of electronic isotope shift factors in Al I

TL;DR

This paper presents systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope shift factors in neutral aluminium, linking atomic transitions to nuclear charge radius changes.

Contribution

It introduces two computational approaches with varied electron correlation models to reliably estimate isotope shift factors and their uncertainties.

Findings

Calculated isotope shift factors for aluminium transitions.

Estimated changes in nuclear mean-square charge radii.

Provided error bars for theoretical isotope shift predictions.

Abstract

The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope shift factors for a set of transitions between low-lying states in neutral aluminium. These electronic quantities together with observed isotope shifts between different pairs of isotopes provide the changes in mean-square charge radii of the atomic nuclei. Two computational approaches are adopted for the estimation of the mass- and field shift factors. Within these approaches, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy and estimate theoretical error bars of the isotope shift factors.