Relativistic $R$ matrix calculations for the electronimpact excitation of neutral molybdenum
Abstract
A recent PISCESB Mod experiment [Nishijima et al., J. Phys. B 43, 225701 (2010)] has revealed up to a factor of 5 discrepancy between measurement and the two existing theoretical models [Badnell et al., J. Phys. B 29, 3683 (1996); Bartschat et al., J. Phys. B 35, 2899 (2002)], providing important diagnostics for Mo i. In the following paper we address this issue by employing a relativistic atomic structure and R matrix scattering calculations to improve upon the available models for future applications and benchmark results against a recent Compact Toroidal Hybrid experiment [Hartwell et al., Fusion Sci. Technol. 72, 76 (2017)]. We determine the atomic structure of Mo i using grasp 0 , which implements the multiconfigurational DiracFock method. Fine structure energies and radiative transition rates are presented and compared to existing experimental and theoretical values. The electronimpact excitation of Mo i is investigated using the relativistic R matrix method and the parallel versions of the Dirac atomic R matrix codes. Electronimpact excitation cross sections are presented and compared to the few available theoretical cross sections. Throughout, our emphasis is on improving the results for the z 5 P o 1 , 2 , 3 → a 5 Smore »
 Authors:

 Queen's Univ., Belfast, Northern Ireland (United Kingdom). School of Mathematics and Physics
 Auburn Univ., AL (United States). Dept. of Physics
 Publication Date:
 Research Org.:
 Lawrence Berkeley National LaboratoryNational Energy Research Scientific Computing Center
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1523836
 Resource Type:
 Journal Article
 Journal Name:
 Physical Review A
 Additional Journal Information:
 Journal Volume: 96; Journal Issue: 4; Journal ID: ISSN 24699926
 Country of Publication:
 United States
 Language:
 English
Citation Formats
Smyth, R. T., Johnson, C. A., Ennis, D. A., Loch, S. D., Ramsbottom, C. A., and Ballance, C. P. Relativistic R matrix calculations for the electronimpact excitation of neutral molybdenum. United States: N. p., 2017.
Web. doi:10.1103/PhysRevA.96.042713.
Smyth, R. T., Johnson, C. A., Ennis, D. A., Loch, S. D., Ramsbottom, C. A., & Ballance, C. P. Relativistic R matrix calculations for the electronimpact excitation of neutral molybdenum. United States. doi:10.1103/PhysRevA.96.042713.
Smyth, R. T., Johnson, C. A., Ennis, D. A., Loch, S. D., Ramsbottom, C. A., and Ballance, C. P. Sun .
"Relativistic R matrix calculations for the electronimpact excitation of neutral molybdenum". United States. doi:10.1103/PhysRevA.96.042713.
@article{osti_1523836,
title = {Relativistic R matrix calculations for the electronimpact excitation of neutral molybdenum},
author = {Smyth, R. T. and Johnson, C. A. and Ennis, D. A. and Loch, S. D. and Ramsbottom, C. A. and Ballance, C. P.},
abstractNote = {A recent PISCESB Mod experiment [Nishijima et al., J. Phys. B 43, 225701 (2010)] has revealed up to a factor of 5 discrepancy between measurement and the two existing theoretical models [Badnell et al., J. Phys. B 29, 3683 (1996); Bartschat et al., J. Phys. B 35, 2899 (2002)], providing important diagnostics for Mo i. In the following paper we address this issue by employing a relativistic atomic structure and R matrix scattering calculations to improve upon the available models for future applications and benchmark results against a recent Compact Toroidal Hybrid experiment [Hartwell et al., Fusion Sci. Technol. 72, 76 (2017)]. We determine the atomic structure of Mo i using grasp 0 , which implements the multiconfigurational DiracFock method. Fine structure energies and radiative transition rates are presented and compared to existing experimental and theoretical values. The electronimpact excitation of Mo i is investigated using the relativistic R matrix method and the parallel versions of the Dirac atomic R matrix codes. Electronimpact excitation cross sections are presented and compared to the few available theoretical cross sections. Throughout, our emphasis is on improving the results for the z 5 P o 1 , 2 , 3 → a 5 S 2 , z 7 P o 2 , 3 , 4 → a 7 S 3 and y 7 P o 2 , 3 , 4 → a 7 S 3 electric dipole transitions of particular relevance for diagnostic work.},
doi = {10.1103/PhysRevA.96.042713},
journal = {Physical Review A},
issn = {24699926},
number = 4,
volume = 96,
place = {United States},
year = {2017},
month = {10}
}
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