Multi-configuration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I

TL;DR

This paper employs multi-configuration Dirac-Hartree-Fock calculations to accurately determine excitation energies, oscillator strengths, and hyperfine constants for low-lying Sm I levels, emphasizing core correlation effects.

Contribution

It introduces a systematic analysis of correlation effects and improves agreement with experimental data for Sm I atomic properties using an optimized computational model.

Findings

Calculated excitation energies closely match experimental data.

Oscillator strengths show significant improvement over previous theories.

Hyperfine structure constants are accurately predicted.

Abstract

The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitation energies, oscillator strengths, and hyperfine structure constants are in better agreement with experimental values than earlier theoretical works.