DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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. https://doi.org/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. https://doi.org/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 = {Tue Oct 23 00:00:00 EDT 2018},
month = {Tue Oct 23 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Figures / Tables:

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

Save / Share:

Works referenced in this record:

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur
journal, October 2017

  • Beiersdorfer, P.; Brown, G. V.; Hell, N.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 408
  • DOI: 10.1016/j.nimb.2017.03.095

High-Resolution Laboratory Measurements of Coronal Lines in the 198-218 Å Region
journal, May 2014

  • Beiersdorfer, Peter; Träbert, Elmar; Lepson, Jaan K.
  • The Astrophysical Journal, Vol. 788, Issue 1
  • DOI: 10.1088/0004-637X/788/1/25

Relativistic configuration interaction calculations on the K  x-ray satellites of argon
journal, December 2002


Atomic Data and Spectral Line Intensities for S x
journal, August 2003

  • Bhatia, A. K.; Landi, E.
  • The Astrophysical Journal Supplement Series, Vol. 147, Issue 2
  • DOI: 10.1086/375721

Atomic data and spectral line intensities for S IX
journal, September 2003


The Ionized Gas and Nuclear Environment in NGC 3783. I. Time‐averaged 900 Kilosecond Chandra Grating Spectroscopy
journal, August 2002

  • Kaspi, Shai; Brandt, W. N.; George, Ian M.
  • The Astrophysical Journal, Vol. 574, Issue 2
  • DOI: 10.1086/341113

Radiative and Auger Decay of K‐Vacancy Levels in the Ne, Mg, Si, S, Ar, and Ca Isonuclear Sequences
journal, July 2008

  • Palmeri, P.; Quinet, P.; Mendoza, C.
  • The Astrophysical Journal Supplement Series, Vol. 177, Issue 1
  • DOI: 10.1086/587804

Relativistic MR-MP energy levels: Low-lying states in the Mg isoelectronic sequence
journal, September 2016


Multi-configuration Dirac-Fock and configuration-interaction calculations of Ar 7+ to Ar 17+ ions
journal, April 2001

  • Natarajan, L.; Mulye, Y. G.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 9
  • DOI: 10.1088/0953-4075/34/9/318

Calcium‐to‐Argon and Nickel‐to‐Argon Abundance Ratios as Tracers of the Source Region of Postflare Loop System Material
journal, March 2008

  • Widing, K. G.; Feldman, U.
  • The Astrophysical Journal, Vol. 675, Issue 1
  • DOI: 10.1086/527540

X‐Ray Spectral Study of the Photoionized Stellar Wind in Vela X‐1
journal, November 2006

  • Watanabe, Shin; Sako, Masao; Ishida, Manabu
  • The Astrophysical Journal, Vol. 651, Issue 1
  • DOI: 10.1086/507458

Laboratory Measurements of the K-Shell Transition Energies in L-Shell ions of si and s
journal, October 2016


Emission‐Line Spectra of S vii –S xiv in the 20–75 A Wavelength Region
journal, June 2005

  • Lepson, J. K.; Beiersdorfer, P.; Behar, E.
  • The Astrophysical Journal, Vol. 625, Issue 2
  • DOI: 10.1086/429879

Relativistic MR-MP calculations of the energy levels and transition probabilities in Ni- to Kr-like Pt ions
journal, January 2014

  • Santana, Juan A.; Ishikawa, Yasuyuki; Träbert, Elmar
  • Atomic Data and Nuclear Data Tables, Vol. 100, Issue 1
  • DOI: 10.1016/j.adt.2013.05.001

Energies and E1, M1, E2, and M2 transition rates for states of the 2s22p3, 2s2p4, and 2p5 configurations in nitrogen-like ions between F III and Kr XXX
journal, March 2014

  • Rynkun, P.; Jönsson, P.; Gaigalas, G.
  • Atomic Data and Nuclear Data Tables, Vol. 100, Issue 2
  • DOI: 10.1016/j.adt.2013.05.003

Relativistic multireference many-body perturbation calculations on multi-valence-electron systems: Benchmarks on Zn-like ions
journal, September 2005


Atomic data and spectral line intensities for Ar XI
journal, May 2006


Isotope shifts in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations
journal, September 2014


Atomic data and spectral line intensities for Ar XII
journal, March 2005


THERMODYNAMIC SPECTRUM OF SOLAR FLARES BASED ON SDO /EVE OBSERVATIONS: TECHNIQUES AND FIRST RESULTS
journal, March 2016

  • Wang, Yuming; Zhou, Zhenjun; Zhang, Jie
  • The Astrophysical Journal Supplement Series, Vol. 223, Issue 1
  • DOI: 10.3847/0067-0049/223/1/4

Chandra Grating Spectroscopy of the X‐Ray Binary 4U 1700−37 in a Flaring State
journal, July 2003

  • Boroson, Bram; Vrtilek, Saeqa Dil; Kallman, Timothy
  • The Astrophysical Journal, Vol. 592, Issue 1
  • DOI: 10.1086/375636

Dramatic Variability of X‐Ray Absorption Lines in the Black Hole Candidate Cygnus X‐1
journal, July 2007

  • Chang, Chulhoon; Cui, Wei
  • The Astrophysical Journal, Vol. 663, Issue 2
  • DOI: 10.1086/518639

Ab initio oscillator strengths and transition probabilities of transitions from 2s22p23l and 2s2p33l in S X
journal, January 2005

  • Karpuškienė, R.; Bogdanovich, P.; Udris, A.
  • Atomic Data and Nuclear Data Tables, Vol. 89, Issue 1
  • DOI: 10.1016/j.adt.2004.11.001

Energies and E1, M1, E2, M2 transition rates for states of the 2s22p, 2s2p2, and 2p3 configurations in boron-like ions between N III and Zn XXVI
journal, July 2012

  • Rynkun, P.; Jönsson, P.; Gaigalas, G.
  • Atomic Data and Nuclear Data Tables, Vol. 98, Issue 4
  • DOI: 10.1016/j.adt.2011.08.004

Emission‐Line Spectra of Ar ix –Ar xvi in the Soft X‐Ray Region 20–50 A
journal, June 2003

  • Lepson, J. K.; Beiersdorfer, P.; Behar, E.
  • The Astrophysical Journal, Vol. 590, Issue 1
  • DOI: 10.1086/374980

Energy Levels of Highly Ionized Ar XIV
journal, October 2006


Multiconfigurational Dirac-Fock studies of two-electron ions. II. Radiative corrections and comparison with experiment
journal, February 1987

  • Indelicato, P.; Gorveix, O.; Desclaux, J. P.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 4
  • DOI: 10.1088/0022-3700/20/4/007

Relativistic CI calculations of spectroscopic data for the and configurations in Ne-like ions between Mg III and Kr XXVII
journal, January 2014

  • Jönsson, P.; Bengtsson, P.; Ekman, J.
  • Atomic Data and Nuclear Data Tables, Vol. 100, Issue 1
  • DOI: 10.1016/j.adt.2013.06.001

Experimental M1 Transition Rates of Coronal Lines from Ar x , Ar xiv , and Ar xv
journal, September 2000

  • Trabert, E.; Beiersdorfer, P.; Utter, S. B.
  • The Astrophysical Journal, Vol. 541, Issue 1
  • DOI: 10.1086/309427

An adjusted boxplot for skewed distributions
journal, August 2008


The Mysterious case of the Solar Argon Abundance near Sunspots in Flares
journal, June 2016


Soft X-Ray Emission Lines of s Vii-S xiv in Procyon
journal, December 2012


Storage-ring measurement of the hyperfine-induced 2 s 2 p 3 P 0 2 s 2 1 S 0 transition rate in berylliumlike sulfur
journal, January 2012


New classifications of emission lines of highly ionized phosphorus and sulphur
journal, April 1970

  • Fawcett, B. C.; Hardcastle, R. A.; Tondello, G.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 3, Issue 4
  • DOI: 10.1088/0022-3700/3/4/011

R -matrix electron-impact excitation data for the B-like iso-electronic sequence
journal, November 2012


SYSTEMATIC CALCULATIONS OF ENERGY LEVELS AND TRANSITION RATES OF C-LIKE IONS WITH Z = 13-36
journal, January 2014


R -matrix electron-impact excitation data for astrophysically abundant sulphur ions
journal, September 2011


Revealing the Dusty Warm Absorber in MCG −6-30-15 with the [ITAL]Chandra[/ITAL] High-Energy Transmission Grating
journal, June 2001

  • Lee, Julia C.; Ogle, Patrick M.; Canizares, Claude R.
  • The Astrophysical Journal, Vol. 554, Issue 1
  • DOI: 10.1086/320912

Line strengths of QED-sensitive forbidden transitions in B-, Al-, F- and Cl-like ions
journal, May 2018


Dirac R-matrix calculation for electron-impact excitation of S xiii
journal, July 2013


Relativistic MR–MP Energy Levels for L-shell Ions of Silicon
journal, January 2018

  • Santana, Juan A.; Lopez-Dauphin, Nahyr A.; Beiersdorfer, Peter
  • The Astrophysical Journal Supplement Series, Vol. 234, Issue 1
  • DOI: 10.3847/1538-4365/aa94d2

Relativistic R -matrix close-coupling method based on the effective Hamiltonian in many-body perturbation theory
journal, June 2007


HIGH-ACCURACY MR-MP PERTURBATION THEORY ENERGY AND RADIATIVE RATES CALCULATIONS FOR CORE-EXCITED TRANSITIONS IN Fe XVI
journal, July 2013

  • Díaz, F.; Vilkas, M. J.; Ishikawa, Y.
  • The Astrophysical Journal Supplement Series, Vol. 207, Issue 1
  • DOI: 10.1088/0067-0049/207/1/11

Relativistic multireference many-body perturbation theory for quasidegenerate systems: Energy levels of ions of the oxygen isoelectronic sequence
journal, October 1999


Energy levels and radiative rates for transitions in Ar XIII, Ar XIV and Ar XV
journal, June 2005


Inner‐Shell Absorption Lines of Fe vi –Fe xvi : A Many‐Body Perturbation Theory Approach
journal, April 2006

  • Gu, Ming F.; Holczer, Tomer; Behar, Ehud
  • The Astrophysical Journal, Vol. 641, Issue 2
  • DOI: 10.1086/500640

THEORETICAL WAVELENGTHS OF Fe XVI L-SHELL TRANSITIONS AND COMPARISON WITH LABORATORY MEASUREMENTS AND CHANDRA OBSERVATIONS OF CAPELLA
journal, January 2012


R -matrix electron-impact excitation calculations along the F-like iso-electronic sequence
journal, July 2007

  • Witthoeft, M. C.; Whiteford, A. D.; Badnell, N. R.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 40, Issue 15
  • DOI: 10.1088/0953-4075/40/15/001

Foil excited K X-ray transitions in few-electron sulphur ions
journal, November 1980

  • Langenberg, A.; Watson, R. L.; White, J. R.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 13, Issue 21
  • DOI: 10.1088/0022-3700/13/21/013

The XMM-Newton view of stellar coronae: High-resolution X-ray spectroscopy of Capella
journal, January 2001


Relativistic multireference many-body perturbation theory for open-shell ions with multiple valence shell electrons: the transition rates and lifetimes of the excited levels in chlorinelike Fe X
journal, March 2010

  • Ishikawa, Yasuyuki; Santana, Juan A.; Träbert, Elmar
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 7
  • DOI: 10.1088/0953-4075/43/7/074022

Combination of the many-body perturbation theory with the configuration-interaction method
journal, November 1996


Sulfur ix to xiii Spectral Measurments Between 170 and 500 Å
journal, March 2009


CHIANTI - an atomic database for emission lines: I. Wavelengths greater than 50 Å
journal, October 1997

  • Dere, K. P.; Landi, E.; Mason, H. E.
  • Astronomy and Astrophysics Supplement Series, Vol. 125, Issue 1
  • DOI: 10.1051/aas:1997368

Absorption Measure Distribution of the Outflow in IRAS 13349+2438: Direct Observation of Thermal Instability?
journal, July 2007

  • Holczer, Tomer; Behar, Ehud; Kaspi, Shai
  • The Astrophysical Journal, Vol. 663, Issue 2
  • DOI: 10.1086/518416

Highly Ionized Spectra of the Transition Sulfur
journal, November 2000

  • Yang, Z. H.; Ma, X. W.; Wang, Y. D.
  • The Astrophysical Journal, Vol. 544, Issue 1
  • DOI: 10.1086/317171

Weighted oscillator strengths and lifetimes for the S XIV spectrum
journal, May 2009

  • Luna, F. R. T.; Mania, A. J.; Hernandes, J. A.
  • Journal of Applied Spectroscopy, Vol. 76, Issue 3
  • DOI: 10.1007/s10812-009-9195-x

Development of a configuration-interaction plus all-order method for atomic calculations
journal, July 2009


CHIANTI – An atomic database for emission lines. Version 8
journal, October 2015


Extreme‐Ultraviolet Emission Lines of S x in Solar Flare and Active Region Spectra
journal, January 2004

  • Keenan, F. P.; Katsiyannis, A. C.; Widing, K. G.
  • The Astrophysical Journal, Vol. 601, Issue 1
  • DOI: 10.1086/380305

R -matrix electron-impact excitation data for the Ne-like iso-electronic sequence
journal, July 2010


Electron density diagnostic potential of Ar XIV soft X-ray emission lines
journal, December 2006

  • Liang, G. Y.; Zhao, G.; Zeng, J. L.
  • Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 102, Issue 3
  • DOI: 10.1016/j.jqsrt.2006.02.029

Identification and analysis of soft X-ray lines of Ar xiii-Ar xvi in laboratory and astrophysical plasmas
journal, May 2004


Atomic data and spectral line intensities for Ar XV
journal, March 2008


Wavelengths, Energy Levels, Lifetimes, and Weighted Oscillator Strengths for the s viii Spectrum
journal, September 2011

  • Pagan, C. J. B.; Cavalcanti, G. H.; Jupén, C.
  • The Astrophysical Journal Supplement Series, Vol. 196, Issue 2
  • DOI: 10.1088/0067-0049/196/2/19

Atomic data and spectral line intensities for S XIII
journal, January 2008


Extreme‐Ultraviolet Emission Lines of S xii in Solar Active Region and Flare Spectra
journal, February 2002

  • Keenan, F. P.; Katsiyannis, A. C.; Ryans, R. S. I.
  • The Astrophysical Journal, Vol. 566, Issue 1
  • DOI: 10.1086/337960

Spin-forbidden electric dipole transitions of highly ionized argon
journal, July 2002


Resonance and intercombination lines in Mg-like ions of atomic numbers Z = 13 92
journal, February 2015


Electron impact excitation of N-like ions from the ICFT R -matrix calculation
journal, March 2018


Production and decay of sulfur excited species in an electron-cyclotron-resonance ion-source plasma
journal, September 2009


High-resolution X-ray spectroscopy of Procyon by Chandra and XMM-Newton
journal, June 2002


CHIANTI – an atomic database for emission lines: III. Continuum radiation and extension of the ion database
journal, March 1999

  • Landi, E.; Landini, M.; Dere, K. P.
  • Astronomy and Astrophysics Supplement Series, Vol. 135, Issue 2
  • DOI: 10.1051/aas:1999449

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
  • DOI: 10.3847/1538-4365/ab4c3d