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Non-relativistic and relativistic investigation of the low lying electronic states of Sr2+Xe, Sr+Xe and SrXe systems

  • Wissem Zrafi
  • Mohamed Bejaou
  • Jamila Dhiflaoui
  • Mohamed Farjallah
  • Hamid BerricheEmail author
Regular Article
  • 21 Downloads

Abstract

The potential energy curves and permanent and transition dipole moments of the neutral SrXe and the ionic Sr+Xe systems are calculated with an ab initio approach using pseudopotential techniques, core polarization potentials, large Gaussian basis sets and full configuration interaction for two electron calculations. The spectroscopic constants of the ground state and lower excited states are in good agreement with the available experimental and theoretical works. The spin–orbit coupling is also included for the ionic system Sr+Xe and the neutral one SrXe. Its effect is significant on the potential energy curves, dipole moments and energy level spacing. For SrXe, the spin–orbit splitting has been considered for the states (2)3Σ0,1, (1,2)3Π0,1,2 and (1)3Δ0,1,2,3.

Graphical abstract

Keywords

Molecular Physics and Chemical Physics 

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Copyright information

© EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Wissem Zrafi
    • 1
  • Mohamed Bejaou
    • 1
  • Jamila Dhiflaoui
    • 1
  • Mohamed Farjallah
    • 1
  • Hamid Berriche
    • 1
    • 2
    Email author
  1. 1.Laboratory of Interfaces and Advanced Materials, Physics Department, Faculty of Science, University of MonastirMonastirTunisia
  2. 2.Department of Mathematics and Natural SciencesSchool of Arts and Sciences, American University of Ras Al KhaimahRas Al KhaimahUnited Arab Emirates

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