Diverse Trends of Electron Correlation Effects for Properties with Different Radial and Angular Factors in an Atomic System: A case study in Ca$^{+}$

TL;DR

This study investigates how electron correlation effects vary across different atomic properties of Ca$^{+}$, considering their radial and angular factors, using advanced relativistic many-body computational methods.

Contribution

It provides a detailed analysis of electron correlation trends for various atomic properties with different radial and angular dependencies in Ca$^{+}$, employing multiple high-level relativistic methods.

Findings

Electron correlation effects vary significantly with the radial and angular factors of properties.

Higher-order relativistic corrections like Breit and QED effects are quantified.

Trends identified can improve the accuracy of atomic property calculations.

Abstract

Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks and radial behaviors are studied and the role of electron correlation effects in their determination are investigated. We have adopted the Dirac-Hartree-Fock method, the second- and third-order relativistic many-body perturbation theories, and an all-order relativistic many-body method in the coupled-cluster theory framework considering only the linearized terms and also all the non-linearized terms in the singles and doubles with partial triples excitations approximation to carry out these analyses. Variations in the propagation of electron correlation effects with operators having same angular factors but different radial behaviors and with different ranks are highlighted. Corrections from the higher-order relativistic corrections due to the Breit and quantum electrodynamics interactions to all these properties are also estimated. Understanding of trends of electron correlation effects in these properties can be useful to establish accuracies in the theoretical results of different atomic properties and to substantiate validity of an approximated many-body method.