Large-scale RCI calculation of energy levels in W9+

F.H. Qu; B.L. Li; B. Tu; C.Y. Zhang; X. Liu; Y. M. Xie; Q. Lu; C.L. Yan; N. Fu; R. Si; C.Y. Chen; B. Wei; Y. Zou; J. Xiao

doi:10.1016/j.jqsrt.2023.108871

Large-scale RCI calculation of energy levels in W⁹⁺

F.H. Qu, B.L. Li, B. Tu^*, C.Y. Zhang, X. Liu, Y. M. Xie, Q. Lu, C.L. Yan, N. Fu, R. Si, C.Y. Chen, B. Wei, Y. Zou, J. Xiao

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

The Flexible Atomic Code (FAC) is developed to extend the computational scale based on the Relativistic Configuration Interaction (RCI) in the theoretical study of W⁹⁺ atomic structure. The results of the lowest 144 energy levels are consistent with the GRASP calculations, with a mean deviation of 2.11 %. The reference configuration selections for central potential optimization in the RCI calculations at different computational scales are studied. The contributions of the inner core 4d to the energy levels of the RCI calculations are also investigated. The mean deviation of the theoretical wavelengths of five M1 transitions of W⁹⁺ from the experimental results is within 0.86 %. This work demonstrates the feasibility of improving the accuracy of RCI calculations of complex atomic systems through large-scale computation based on FAC, which is helpful for experimental spectral line identifications and spectrum synthesis in many fields of plasma spectroscopy.

Original language	English
Article number	108871
Number of pages	6
Journal	Journal of Quantitative Spectroscopy and Radiative Transfer
Volume	314
Early online date	14 Dec 2023
DOIs	https://doi.org/10.1016/j.jqsrt.2023.108871
Publication status	Published - 1 Feb 2024

Funding

This work was supported by the National Key Research and Development Program of China (Grant No. 2022YFA1602500 ), the National Natural Science Foundation of China (Grant No. 11974080 , 11934014 , 12204110 ), and Shanghai Pujiang Program (Grant No. 22PJ1401100 ).

Keywords

FAC
RCI
Tungsten spectrum

Access to Document

10.1016/j.jqsrt.2023.108871

Cite this

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title = "Large-scale RCI calculation of energy levels in W9+",

abstract = "The Flexible Atomic Code (FAC) is developed to extend the computational scale based on the Relativistic Configuration Interaction (RCI) in the theoretical study of W9+ atomic structure. The results of the lowest 144 energy levels are consistent with the GRASP calculations, with a mean deviation of 2.11 \%. The reference configuration selections for central potential optimization in the RCI calculations at different computational scales are studied. The contributions of the inner core 4d to the energy levels of the RCI calculations are also investigated. The mean deviation of the theoretical wavelengths of five M1 transitions of W9+ from the experimental results is within 0.86 \%. This work demonstrates the feasibility of improving the accuracy of RCI calculations of complex atomic systems through large-scale computation based on FAC, which is helpful for experimental spectral line identifications and spectrum synthesis in many fields of plasma spectroscopy.",

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author = "F.H. Qu and B.L. Li and B. Tu and C.Y. Zhang and X. Liu and Xie, \{Y. M.\} and Q. Lu and C.L. Yan and N. Fu and R. Si and C.Y. Chen and B. Wei and Y. Zou and J. Xiao",

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T1 - Large-scale RCI calculation of energy levels in W9+

AU - Qu, F.H.

AU - Li, B.L.

AU - Tu, B.

AU - Zhang, C.Y.

AU - Liu, X.

AU - Xie, Y. M.

AU - Lu, Q.

AU - Yan, C.L.

AU - Fu, N.

AU - Si, R.

AU - Chen, C.Y.

AU - Wei, B.

AU - Zou, Y.

AU - Xiao, J.

PY - 2024/2/1

Y1 - 2024/2/1

N2 - The Flexible Atomic Code (FAC) is developed to extend the computational scale based on the Relativistic Configuration Interaction (RCI) in the theoretical study of W9+ atomic structure. The results of the lowest 144 energy levels are consistent with the GRASP calculations, with a mean deviation of 2.11 %. The reference configuration selections for central potential optimization in the RCI calculations at different computational scales are studied. The contributions of the inner core 4d to the energy levels of the RCI calculations are also investigated. The mean deviation of the theoretical wavelengths of five M1 transitions of W9+ from the experimental results is within 0.86 %. This work demonstrates the feasibility of improving the accuracy of RCI calculations of complex atomic systems through large-scale computation based on FAC, which is helpful for experimental spectral line identifications and spectrum synthesis in many fields of plasma spectroscopy.

AB - The Flexible Atomic Code (FAC) is developed to extend the computational scale based on the Relativistic Configuration Interaction (RCI) in the theoretical study of W9+ atomic structure. The results of the lowest 144 energy levels are consistent with the GRASP calculations, with a mean deviation of 2.11 %. The reference configuration selections for central potential optimization in the RCI calculations at different computational scales are studied. The contributions of the inner core 4d to the energy levels of the RCI calculations are also investigated. The mean deviation of the theoretical wavelengths of five M1 transitions of W9+ from the experimental results is within 0.86 %. This work demonstrates the feasibility of improving the accuracy of RCI calculations of complex atomic systems through large-scale computation based on FAC, which is helpful for experimental spectral line identifications and spectrum synthesis in many fields of plasma spectroscopy.

KW - FAC

KW - RCI

KW - Tungsten spectrum

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DO - 10.1016/j.jqsrt.2023.108871

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