Relativistic Atomic Structure Calculations for the Study of Electron Dynamics of Sr+ Ion Confined Inside Fullerene

This article presents the maiden investigation of the electronic structural properties of the Sr+ ion confined inside fullerene. The Dirac equations are solved to calculate the energy levels, probability distributions, etc. for various confinement depths of the Gaussian Annular Square Well (GASW) potential using the Multi-Configuration Dirac Hartree–Fock (MCDHF) formalism. The wavelengths, transition probabilities, and oscillator strengths are reported for the 5S1/2⟷5P1/2 (D1 line) and 5S1/2⟷5P3/2 (D2 line) transitions of the encapsulated ion. We also estimate variations in the line intensity ratio, electron density, Coulomb coupling parameter, etc. A suggested direction for the calculation of electron impact ionization cross-section using the binary-encounter Bethe (BEB) model with the present data is also given.