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Title: Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon

Abstract

Calculated level energies for valence and K-vacancy states are given for the ion series S vii–S xiv and Ar ix–Ar xvi. The calculations were performed with the relativistic Multi-Reference Møller–Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations $$1{s}^{2}2{(s,p)}^{q}$$, $$1{s}^{2}2{(s,p)}^{q-1}{nl}$$, $$1{s}^{1}2{(s,p)}^{q+1}$$, $$1{s}^{1}2{(s,p)}^{q}{nl}$$, $$2{(s,p)}^{q+2}$$, and $$2{(s,p)}^{q+1}{nl}$$, where 1 ≤ q ≤ 8, n ≤ 5, and l ≤ 3. We have compared our results with data from the National Institute of Standards and Technology (NIST) online database and with previous calculations. The average deviation of valence level energies ranges from 0.16 eV in Ne-like ions to 0.01 eV in Li-like ions, demonstrating that the present MR-MP valence level energies are highly accurate. In the case of K-vacancy states, the deviation is generally below 0.3 eV for Li-like S xiv and Ar xvi. The deviation for K-vacancy energies in other L-shell ions (Be-, B-, C-, N-, and O-like Ar ions) is higher but likely because the NIST-recommended values have a higher uncertainty. The data set includes many n = 4 and n = 5 valence and K-vacancy levels in L-shell ions of S and Ar that have not been previously reported. The data can be used for line identification and modeling of L-shell ions of S and Ar in astrophysical and laboratory-generated plasmas, and as energy references in the absence of more accurate laboratory calculations.

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [4]
  1. Univ. of Puerto Rico, Cayey, PR (United States)
  2. Univ. of Puerto Rico, Cayey, PR (United States); Univ. at Buffalo, NY (United States)
  3. Univ. of Puerto Rico, Utuado, PR (United States)
  4. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1545291
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
The Astrophysical Journal. Supplement Series (Online)
Additional Journal Information:
Journal Name: The Astrophysical Journal. Supplement Series (Online); Journal Volume: 238; Journal Issue: 2; Journal ID: ISSN 1538-4365
Publisher:
American Astronomical Society/IOP
Country of Publication:
United States
Language:
English
Subject:
79 ASTRONOMY AND ASTROPHYSICS; atomic data; line: identification

Citation Formats

Santana, Juan A., Lopez-Dauphin, Nahyr A., Morales Butler, Emmanuel J., and Beiersdorfer, Peter. Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon. United States: N. p., 2018. Web. doi:10.3847/1538-4365/aae14e.
Santana, Juan A., Lopez-Dauphin, Nahyr A., Morales Butler, Emmanuel J., & Beiersdorfer, Peter. Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon. United States. doi:10.3847/1538-4365/aae14e.
Santana, Juan A., Lopez-Dauphin, Nahyr A., Morales Butler, Emmanuel J., and Beiersdorfer, Peter. Tue . "Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon". United States. doi:10.3847/1538-4365/aae14e. https://www.osti.gov/servlets/purl/1545291.
@article{osti_1545291,
title = {Relativistic MR-MP Energy Levels for L-shell Ions of Sulfur and Argon},
author = {Santana, Juan A. and Lopez-Dauphin, Nahyr A. and Morales Butler, Emmanuel J. and Beiersdorfer, Peter},
abstractNote = {Calculated level energies for valence and K-vacancy states are given for the ion series S vii–S xiv and Ar ix–Ar xvi. The calculations were performed with the relativistic Multi-Reference Møller–Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations $1{s}^{2}2{(s,p)}^{q}$, $1{s}^{2}2{(s,p)}^{q-1}{nl}$, $1{s}^{1}2{(s,p)}^{q+1}$, $1{s}^{1}2{(s,p)}^{q}{nl}$, $2{(s,p)}^{q+2}$, and $2{(s,p)}^{q+1}{nl}$, where 1 ≤ q ≤ 8, n ≤ 5, and l ≤ 3. We have compared our results with data from the National Institute of Standards and Technology (NIST) online database and with previous calculations. The average deviation of valence level energies ranges from 0.16 eV in Ne-like ions to 0.01 eV in Li-like ions, demonstrating that the present MR-MP valence level energies are highly accurate. In the case of K-vacancy states, the deviation is generally below 0.3 eV for Li-like S xiv and Ar xvi. The deviation for K-vacancy energies in other L-shell ions (Be-, B-, C-, N-, and O-like Ar ions) is higher but likely because the NIST-recommended values have a higher uncertainty. The data set includes many n = 4 and n = 5 valence and K-vacancy levels in L-shell ions of S and Ar that have not been previously reported. The data can be used for line identification and modeling of L-shell ions of S and Ar in astrophysical and laboratory-generated plasmas, and as energy references in the absence of more accurate laboratory calculations.},
doi = {10.3847/1538-4365/aae14e},
journal = {The Astrophysical Journal. Supplement Series (Online)},
number = 2,
volume = 238,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
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Cited by: 3 works
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Figures / Tables:

Table 1 Table 1: Valence Level Energies in L-shell Ions of S Evaluated with the MR-MP Method

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    Works referencing / citing this record:

    Relativistic MR-MP Energy Levels for L-shell Ions of Iron
    journal, November 2019

    • Santana, Juan A.; Peña-Cotto, Edgardo L.; Morales Butler, Emmanuel J.
    • The Astrophysical Journal Supplement Series, Vol. 245, Issue 1
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