NDLI: Comparison of relativistic CI and MCRHF calculations of oscillator strengths and excitation energies for the ns21S0-nsnp3P1,1P1transitions in neutral cadmium and mercury

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Comparison of relativistic CI and MCRHF calculations of oscillator strengths and excitation energies for the ns21S0-nsnp3P1,1P1transitions in neutral cadmium and mercury

Content Provider	Scilit
Author	Migdalek, J. Bojara, A.
Copyright Year	1987
Description	Journal: Journal of Physics B: Atomic and Molecular Physics The oscillator strengths and excitation energies for the ns^{21}$S_{0}$-nsnp$ $^{3}$P_{1}$,$ $^{1}$P_{1}$ transitions in neutral cadmium and mercury calculated in the configuration interaction (CI) approach based on numerical relativistic SCF wavefunctions are compared with the results of a multiconfiguration relativistic Hartree-Fock (MCRHF) scheme, which employs the same set of configurations. It is found that with careful choice of the method used to generate the valence orbitals, the relativistic configuration interaction treatment yields results comparable with those of the MCRHF approach. The influence on oscillator strengths and excitation energies of the additional $nd^{2}$ and npnd configurations, which could not be included in MCRHF calculations because of difficulties with the convergence of the SCF process, is also studied and is found to be very small.
Related Links	http://iopscience.iop.org/article/10.1088/0022-3700/20/1/001/pdf
Ending Page	L6
Page Count	6
Starting Page	L1
ISSN	00223700
DOI	10.1088/0022-3700/20/1/001
Journal	Journal of Physics B: Atomic and Molecular Physics
Issue Number	1
Volume Number	20
Language	English
Publisher	IOP Publishing
Publisher Date	1987-01-01
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics B: Atomic and Molecular Physics Atomic, Molecular and Chemical Physics Oscillator Strengths Excitation Energies Mcrhf Calculations Careful Choice Strengths and Excitation Ns21s0 Nsnp
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics

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