Hartree-Fock Multiplet Strengths for K I, Ca II, and Sc III

Area of Science:

• Atomic physics
• Quantum chemistry

Background:

• Accurate atomic structure calculations are crucial for understanding spectral properties.
• Hartree-Fock approximations provide a foundation for atomic electronic structure.
• Core polarization effects significantly influence atomic energy levels and transitions.

Purpose of the Study:

• To compute analytical approximations to Hartree-Fock wavefunctions for specific electronic states.
• To calculate multiplet strengths for key transitions in K I, Ca II, and Sc III.
• To investigate the contribution of core relaxation to core polarization effects.

Main Methods:

• Analytical approximations to Hartree-Fock wavefunctions were employed.
• Calculations focused on the 4s, 4p, and 3d states.
• Multiplet strengths for 4s-4p and 4p-3d transitions were computed.

Main Results:

• Computed wavefunctions for K I, Ca II, and Sc III ions.
• Multiplet strengths for specified transitions were determined.
• Core relaxation was identified as a major contributor to core polarization for the 3d level.

Conclusions:

• Core relaxation significantly impacts core polarization effects, particularly for the 3d state.
• Dipole velocity results for the 4p-3d transition in Ca II are unreliable due to cancellation effects.
• The study provides valuable data for atomic structure and spectral line calculations.