Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory

2.50
Hdl Handle:
http://hdl.handle.net/2436/620301
Title:
Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory
Authors:
Nixon, Kate L; Murray, Andrew J; Chaluvadi, H; Ning, C G; Colgan, James; Madison, Don H
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.
Citation:
Sulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory 2016, 49 (19):195203 Journal of Physics B: Atomic, Molecular and Optical Physics
Publisher:
Institute of Physics, Volume 29, Number 19
Journal:
Journal of Physics B: Atomic, Molecular and Optical Physics
Issue Date:
14-Oct-2016
URI:
http://hdl.handle.net/2436/620301
DOI:
10.1088/0953-4075/49/19/195203
Additional Links:
http://stacks.iop.org/0953-4075/49/i=19/a=195203?key=crossref.3b561299c56c638d90735bf0ccb8c45f
Type:
Article
Language:
en
ISSN:
0953-4075
Sponsors:
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.
Appears in Collections:
FSE

Full metadata record

DC FieldValue Language
dc.contributor.authorNixon, Kate Len
dc.contributor.authorMurray, Andrew Jen
dc.contributor.authorChaluvadi, Hen
dc.contributor.authorNing, C Gen
dc.contributor.authorColgan, Jamesen
dc.contributor.authorMadison, Don Hen
dc.date.accessioned2016-11-30T12:30:40Z-
dc.date.available2016-11-30T12:30:40Z-
dc.date.issued2016-10-14-
dc.identifier.citationSulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theory 2016, 49 (19):195203 Journal of Physics B: Atomic, Molecular and Optical Physicsen
dc.identifier.issn0953-4075en
dc.identifier.doi10.1088/0953-4075/49/19/195203-
dc.identifier.urihttp://hdl.handle.net/2436/620301-
dc.description.abstractExperimental 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.en
dc.description.sponsorshipKLN 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.en
dc.language.isoenen
dc.publisherInstitute of Physics, Volume 29, Number 19en
dc.relation.urlhttp://stacks.iop.org/0953-4075/49/i=19/a=195203?key=crossref.3b561299c56c638d90735bf0ccb8c45fen
dc.rightsArchived with thanks to Journal of Physics B: Atomic, Molecular and Optical Physicsen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subject(e,2e) spectroscopyen
dc.subjectsulphur hexaflourideen
dc.subjectproper average over molecular orientationsen
dc.subjectmolecular three-body distorted waveen
dc.titleSulphur hexaflouride: low energy (e,2e) experiments and molecular three-body distorted wave theoryen
dc.typeArticleen
dc.identifier.journalJournal of Physics B: Atomic, Molecular and Optical Physicsen
dc.date.accepted2016-09-
rioxxterms.funderUS National Science Foundation, National Natural Science Foundation of China, Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energyen
rioxxterms.identifier.projectGrant. No. PHY-1068237, Grants No. 11174175, Grant No. TG-MCA07S029, Contract No. DE-AC5206NA25396en
rioxxterms.versionAMen
rioxxterms.licenseref.urihttps://creativecommons.org/CC BY-NC-ND 4.0en
rioxxterms.licenseref.startdate2017-09-14en
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