Multiconfiguration calculations of electronic isotope shift factors in Zn I

TL;DR

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

Contribution

It introduces a comprehensive computational approach exploring electron correlation models to accurately determine isotope shift factors and estimate theoretical uncertainties.

Findings

Calculated isotope shift factors for zinc transitions.

Provided estimates of nuclear charge radius changes.

Developed a reliable computational strategy with error bars.

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 zinc. 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. Within this computational approach, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy and to estimate theoretical error bars of the isotope shift factors.