Atomic energy levels and Landégfactors: A theoretical study

We have developed a relativistic multichannel theory that can be used to calculate the multichannel quantum-defect theory parameters (μ_α, U_iα) directly from first principles. With the parameters we can calculate the energy levels and Land\'e g factors of Rydberg series based on the multichannel quantum-defect theory. We have performed calculations of excited states for the Ne atom with major configuration 1s²2s²2p⁵np in J^π=0⁺, 1⁺, 2⁺, and 3⁺ symmetry. The results are in good agreement with the experimental data. We have also found that the coupling scheme is dependent on the total angular momentum J. The jl-coupling scheme is more suitable than the jj-coupling scheme in describing J^π=1⁺ symmetry, whereas the jj-coupling scheme is more suitable than the jl-coupling scheme for J^π=2⁺ symmetry.