Relativistic $R$-matrix calculations for the electron-impact excitation of neutral molybdenum

Journal Article · Sun Oct 01 00:00:00 EDT 2017 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.96.042713· OSTI ID:1523836

Smyth, R. T. ^[1]; Johnson, C. A. ^[2]; Ennis, D. A. ^[2]; Loch, S. D. ^[2]; Ramsbottom, C. A. ^[1]; Ballance, C. P. ^[1]

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1. Queen's Univ., Belfast, Northern Ireland (United Kingdom). School of Mathematics and Physics
2. Auburn Univ., AL (United States). Dept. of Physics

A recent PISCES-B 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 GRASP⁰, which implements the multiconfigurational Dirac-Fock method. Fine structure energies and radiative transition rates are presented and compared to existing experimental and theoretical values. The electron-impact excitation of MO I is investigated using the relativistic R-matrix method and the parallel versions of the Dirac atomic R-matrix codes. Electron-impact excitation cross sections are presented and compared to the few available theoretical cross sections. Throughout, our emphasis is on improving the results for the z⁵P$$^{o}_{1, 2, 3}$$ → a⁵S₂, z⁷ P$$^{o}_{2, 3, 4}$$ → a⁷S₃ and y⁷P$$^{o}_{2, 3, 4}$$ → a⁷S₃ electric dipole transitions of particular relevance for diagnostic work.

• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
• Sponsoring Organization: USDOE
• OSTI ID: 1523836
• Journal Information: Physical Review A, Vol. 96, Issue 4; ISSN 2469-9926
• Publisher: American Physical Society (APS)
• Country of Publication: United States
• Language: English