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

Ryan Smyth, Curtis Johnson, David Ennis, Stuart Loch, Catherine Ramsbottom, Connor Ballance

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A recent PISCES-B Mod experiment has revealed up to a factor of five discrepancy between measurement and the two existing theoretical models providing important diagnostics for Mo I. In the following paper we address this issue by employing 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.
We determine the atomic structure of Mo I using GRASP0, which implements the multi- configurational 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 (DARC). 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 z5Po1,2,3 → a5S2, z7Po2,3,4 → a7S3 and y7Po2,3,4 → a7S3 electric dipole transitions of particular relevance for diagnostic work.
Original languageEnglish
Article number042713
JournalPhysical Review A (Atomic, Molecular, and Optical Physics)
Issue number4
Publication statusPublished - 18 Oct 2017


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