Photoionization of the valence shells of the neutral tungsten atom

Ballance, C. P.; McLaughlin, B. M.

doi:10.1088/0953-4075/48/8/085201

Title: Photoionization of the valence shells of the neutral tungsten atom

Journal Article · Fri Mar 27 00:00:00 EDT 2015 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI:https://doi.org/10.1088/0953-4075/48/8/085201· OSTI ID:1565351

Ballance, C. P. ^[1]; McLaughlin, B. M. ^[2]

Auburn Univ., AL (United States)
Queen's Univ., Belfast, Northern Ireland (United Kingdom); Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)

Findings from large-scale theoretical cross section calculations for the total photoionization of the 4f, 5s, 5p and 6s orbitals of the neutral tungsten atom using the Dirac Coulomb R-matrix approximation (DARC: Dirac-Atomic R-matrix codes) are introduced. Comparisons are drawn with previous theoretical methods and prior experimental measurements. In previous experiments a time-resolved dual laser approach was employed for the photo-absorption of metal vapours and photo-absorption measurements on tungsten in a solid, using synchrotron radiation. The lowest ground state level of neutral tungsten is 5p⁶5d⁴6s^{2 5}D_J , with J=0, and requires only a single dipole matrix for photoionization. To make a meaningful comparison with existing experimental measurements, we statistically average the large-scale theoretical PI cross sections from the levels associated with the ground state 5p⁶5d⁴6s^{2 5}D_J [J = 0, 1, 2, 3, 4] levels and the 5d⁵6s ⁷S₃ excited metastable level. As the experiments have a self-evident metastable component in their ground state measurement, averaging over the initial levels allows for a more consistent and realistic comparison to be made. In the wider context, the absence of many detailed electron-impact excitation (EIE) experiments for tungsten and its multi-charged ion stages offers current photoionization measurements and theory to provide a road-map for future electron-impact excitation, ionization and di-electronic cross section calculations by identifying the dominant

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1565351

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Vol. 48, Issue 8; ISSN 0953-4075

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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References (21)

Petascale Computations for Large-Scale Atomic and Molecular Collisions McLaughlin, Brendan M.; Ballance, Connor P. Sustained Simulation Performance 2014 https://doi.org/10.1007/978-3-319-10626-7_15	book	January 2014
PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations McLaughlin, B. M.; Ballance, C. P.; Pindzola, M. S. High Performance Computing in Science and Engineering ‘14 https://doi.org/10.1007/978-3-319-10810-0_4	book	December 2014
Fine-structure photoionization cross sections of Fe II Fivet, V.; Bautista, M. A.; Ballance, C. P. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 3 https://doi.org/10.1088/0953-4075/45/3/035201	journal	January 2012
Photoionization cross sections for the trans-iron element Se ⁺ from 18 to 31 eV McLaughlin, B. M.; Ballance, C. P. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 9 https://doi.org/10.1088/0953-4075/45/9/095202	journal	April 2012
XUV photoabsorption of laser-generated W and Pt vapours Costello, J. T.; Kennedy, E. T.; Sonntag, B. F. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 24, Issue 24 https://doi.org/10.1088/0953-4075/24/24/005	journal	December 1991
Relativistic radiatively damped R -matrix calculation of the electron-impact excitation of W ⁴⁶⁺ Ballance, C. P.; Griffin, D. C. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 39, Issue 17 https://doi.org/10.1088/0953-4075/39/17/017	journal	August 2006
GRASP92: A package for large-scale relativistic atomic structure calculations Parpia, F. A.; Fischer, C. Froese; Grant, I. P. Computer Physics Communications, Vol. 94, Issue 2-3 https://doi.org/10.1016/0010-4655(95)00136-0	journal	April 1996
Photoionization cross-section calculation of atomic tungsten Boyle, James J.; Altun, Zikri; Kelly, Hugh P. Physical Review A, Vol. 47, Issue 6 https://doi.org/10.1103/PhysRevA.47.4811	journal	June 1993
Electron scattering by Kr XXIX (oxygen-like krypton) using the Dirac R-matrix method Wijesundera, W. P.; Parpia, F. A.; Grant, I. P. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 24, Issue 7 https://doi.org/10.1088/0953-4075/24/7/028	journal	April 1991
Low-energy electron scattering by Fe XXIII and Fe VII using the Dirac R-matrix method Norrington, P. H.; Grant, I. P. Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 18 https://doi.org/10.1088/0022-3700/20/18/023	journal	September 1987
Photoionization of the $3 s^{2} 3 p^{4}^{3} P$ and the $3 s^{2} 3 p^{4}^{1} D,^{1} S$ states of sulfur: Experiment and theory Barthel, Mathias; Flesch, Roman; Rühl, Eckart Physical Review A, Vol. 91, Issue 1 https://doi.org/10.1103/PhysRevA.91.013406	journal	January 2015
Valence-shell single photoionization of Kr $^{+}$ ions: Experiment and theory Hinojosa, G.; Covington, A. M.; Alna'Washi, G. A. Physical Review A, Vol. 86, Issue 6 https://doi.org/10.1103/PhysRevA.86.063402	journal	December 2012
Optical absorption measurements of tantalum, tungsten, rhenium and platinum in the extreme ultraviolet Haensel, R.; Radler, K.; Sonntag, B. Solid State Communications, Vol. 7, Issue 20 https://doi.org/10.1016/0038-1098(69)90028-3	journal	October 1969
3 p photoabsorption of free and bound Cr, ${Cr}^{+}$ , Mn, and ${Mn}^{+}$ Costello, J. T.; Kennedy, E. T.; Sonntag, B. F. Physical Review A, Vol. 43, Issue 3 https://doi.org/10.1103/PhysRevA.43.1441	journal	February 1991
Electron-impact excitation and ionization of W ³⁺ for the determination of tungsten influx in a fusion plasma Ballance, C. P.; Loch, S. D.; Pindzola, M. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 46, Issue 5 https://doi.org/10.1088/0953-4075/46/5/055202	journal	February 2013
Photoionization Experiments with an Atomic Beam of Tungsten in the Region of the 5 $p$ and 4 $f$ excitation Sladeczek, P.; Feist, H.; Feldt, M. Physical Review Letters, Vol. 75, Issue 8 https://doi.org/10.1103/PhysRevLett.75.1483	journal	August 1995
Photoionization of tungsten ions with synchrotron radiation Müller, A.; Schippers, S.; Kilcoyne, A. L. D. Physica Scripta, Vol. T144 https://doi.org/10.1088/0031-8949/2011/T144/014052	journal	June 2011
Photoionization cross sections of the aluminumlike ${Si}^{+}$ ion in the region of the $2 p$ threshold (94–137 eV) Kennedy, E. T.; Mosnier, J. -P.; Van Kampen, P. Physical Review A, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevA.90.063409	journal	December 2014
Relativistic Quantum Theory of Atoms and Molecules Grant, I. P. Springer Series on Atomic, Optical, and Plasma Physics https://doi.org/10.1007/978-0-387-35069-1	book	January 2007
GRASP: A general-purpose relativistic atomic structure program Dyall, K. G.; Grant, I. P.; Johnson, C. T. Computer Physics Communications, Vol. 55, Issue 3 https://doi.org/10.1016/0010-4655(89)90136-7	journal	October 1989
Valence-shell photoionization of Ag-like Xe ⁷⁺ ions: experiment and theory Müller, A.; Schippers, S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 47, Issue 21 https://doi.org/10.1088/0953-4075/47/21/215202	journal	October 2014

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Single-photon single ionization of W ⁺ ions: experiment and theory Müller, A.; Schippers, S.; Hellhund, J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 23 https://doi.org/10.1088/0953-4075/48/23/235203	journal	December 2015
Photoionization of tungsten ions: experiment and theory for ${{\rm{W}}}^{2+}$ and ${{\rm{W}}}^{3+}$ McLaughlin, B. M.; Ballance, C. P.; Schippers, S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 6 https://doi.org/10.1088/0953-4075/49/6/065201	journal	February 2016
Photoionization of tungsten ions: experiment and theory for ${{\rm{W}}}^{4+}$ Müller, A.; Schippers, S.; Hellhund, J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 50, Issue 8 https://doi.org/10.1088/1361-6455/aa65df	journal	April 2017
Photoionization of tungsten ions: experiment and theory for W ⁵⁺ Müller, A.; Schippers, S.; Hellhund, J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 52, Issue 19 https://doi.org/10.1088/1361-6455/ab39c8	journal	September 2019
Electron-impact single ionisation of W ^{q +} ions: experiment and theory for 11 ≤ q ≤ 18 Schury, D.; Borovik, A.; Ebinger, B. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 53, Issue 1 https://doi.org/10.1088/1361-6455/ab51e9	journal	January 2019
Single-photon single ionization of W$^{+}$ ions: experiment and theory Müller, A.; Schippers, S.; Hellhund, J. arXiv https://doi.org/10.48550/arxiv.1509.02113	text	January 2015
Photoionization of tungsten ions: experiment and theory for W$^{4+}$ Müller, A.; Schippers, S.; Hellhund, J. arXiv https://doi.org/10.48550/arxiv.1703.00892	text	January 2017
Photoionization of tungsten ions: experiment and theory for W$^{5+}$ Müller, A.; Schippers, S.; Hellhund, J. arXiv https://doi.org/10.48550/arxiv.1907.12969	text	January 2019
Fusion-Related Ionization and Recombination Data for Tungsten Ions in Low to Moderately High Charge States Müller, Alfred Atoms, Vol. 3, Issue 2 https://doi.org/10.3390/atoms3020120	journal	May 2015

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