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Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory
Nixon, Kate L Murray, Andrew J Chaluvadi, H Ning, C G Colgan, James Madison, Don H
Nixon, Kate L
Murray, Andrew J
Chaluvadi, H
Ning, C G
Colgan, James
Madison, Don H
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2016-10-14
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Abstract
Experimental and theoretical triple differential ionisation cross-sections (TDCS’s) 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.
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Nixon, KL., Murray, AJ., Chaluvadi, H., Ning, CG.., Colgan, J. & Madison, DH. (2016) 'Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory', Journal of Physics B: Atomic, Molecular and Optical Physics, 49 (19)
doi: 10.1088/0953-4075/49/19/195203
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Journal article
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en
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This is an accepted manuscript of an article published by IOP in Journal of Physics B: Atomic, Molecular and Optical Physics on 15/09/2016, available online: https://doi.org/10.1088/0953-4075/49/19/195203
The accepted version of the publication may differ from the final published version.
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0953-4075
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KLN would like to thank the European commission for a Marie Curie International Incoming Fellowship at the University of Manchester. We would like to thank the technicians in the Schuster laboratory for providing excellent support for the experimental apparatus. This work was partly supported by the US National Science Foundation under Grant. No. PHY-1068237 and by the National Natural Science Foundation of China under Grants No. 11174175. Computational work was performed with Institutional Computing resources made available through the Los Alamos National Laboratory and XSEDE resources provided by the Texas Advanced Computing Center (Grant No. TG-MCA07S029). The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC5206NA25396.