Theoretical calculations of energy levels and transitions for neutral lutetium

Abstract Multiconfiguration Dirac-Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are employed for theoretical calculations of energy levels, wavelengths, line strengths, logarithmic weighted oscillator strengths and transition probabilities in 5d6s 2 -5d6s6p, 5d6s 2 -6s 2 6p, 5d6s 2 -6s 2 6f, 6s 2 6p-6s6p 2 and 5d6s6p-6s6p 2 transitions of neutral lutetium. The average accuracies of the energy levels and transition wavelengths compared with the NIST database are 3.56% and 2.58%, respectively. The differences for most energy levels are below 5% and transition wavelengths are below 6.84%. The uncertainties of the transitions were classified based on line strength through integrated quantitative and qualitative assessments, with 55% of the transitions assigned to accuracy classes higher than class E. The present calculated values show a certain degree of consistency with the existing experimental and theoretical results, and the new theoretical values are expected to be helpful for research on lutetium atoms.

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Publication Details

Journal
Physica Scripta
Published
2025-09-24
DOI
https://doi.org/10.1088/1402-4896/ae0b06
Citations
1
Primary Topic
Catalysis and Oxidation Reactions
Type
article
Field-Weighted Citation Impact
0.39
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article

Theoretical calculations of energy levels and transitions for neutral lutetium

Banglin Deng, su wang, Qingqing Li, Jiarui Qiao
1 citations
Physica Scripta
Catalysis and Oxidation Reactions
0.39
article

Theoretical calculations of energy levels and transitions for neutral lutetium

Banglin Deng, su wang, Qingqing Li, Jiarui Qiao
article en
1 citations

Abstract

Abstract Multiconfiguration Dirac-Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are employed for theoretical calculations of energy levels, wavelengths, line strengths, logarithmic weighted oscillator strengths and transition probabilities in 5d6s 2 -5d6s6p, 5d6s 2 -6s 2 6p, 5d6s 2 -6s 2 6f, 6s 2 6p-6s6p 2 and 5d6s6p-6s6p 2 transitions of neutral lutetium. The average accuracies of the energy levels and transition wavelengths compared with the NIST database are 3.56% and 2.58%, respectively. The differences for most energy levels are below 5% and transition wavelengths are below 6.84%. The uncertainties of the transitions were classified based on line strength through integrated quantitative and qualitative assessments, with 55% of the transitions assigned to accuracy classes higher than class E. The present calculated values show a certain degree of consistency with the existing experimental and theoretical results, and the new theoretical values are expected to be helpful for research on lutetium atoms.

Physica ScriptaVol. 100(10)
Chengdu University of Technology (CN)
Openalex Percentile: Top 39%
Catalysis and Oxidation Reactions
0.39
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