Sulphur Hexaflouride: Low Energy (e,2e) Experiments and Molecular Three-Body Distorted Wave Theory

Abstract

Experimental and theoretical triple differential ionisation cross-sections (TDCSs) are presented for the highest occupied molecular orbital of sulphur hexafluoride. These measurements were performed in the low energy regime, with outgoing electron energies ranging from 5 to 40 eV in a coplanar geometry, and with energies of 10 and 20 eV in a perpendicular geometry. Complementary theoretical predictions of the TDCS were calculated using the molecular three-body distorted wave formalism. Calculations were performed using a proper average over molecular orientations as well as the orientation-averaged molecular orbital approximation. This more sophisticated model was found to be in closer agreement with the experimental data, however neither model accurately predicts the TDCS over all geometries and energies.

Department(s)

Physics

Research Center/Lab(s)

Center for High Performance Computing Research

Keywords and Phrases

Atomic Physics; Distortion (Waves); Electron Energy Levels; Electron-Electron Interactions; Geometry; Molecular Orbitals; Sulfur; Sulfur Hexafluoride; Coplanar Geometry; Distorted Waves; Distorted-Wave Theory; Electron Energies; Highest Occupied Molecular Orbital; Perpendicular Geometries; Three Body; Molecular Orientation

International Standard Serial Number (ISSN)

0953-4075

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2016 Institute of Physics - IOP Publishing, All rights reserved.

Publication Date

01 Sep 2016

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