Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/326071
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampCosta, Romarly Fernandes dapt_BR
dc.contributor.authorunicampLima, Marco Aurélio Pinheiropt_BR
dc.typeArtigopt_BR
dc.titleTheoretical And Experimental Differential Cross Sections For Electron Impact Excitation Of The Electronic Bands Of Furfuralen
dc.titleTheoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfuralpt_BR
dc.contributor.authorJones, D. B.pt_BR
dc.contributor.authorNeves, R. F. C.pt_BR
dc.contributor.authorLopes, M. C. A.pt_BR
dc.contributor.authorCosta, R. F. dapt_BR
dc.contributor.authorVarella, M. T. do N.pt_BR
dc.contributor.authorBettega, M. H. F.pt_BR
dc.contributor.authorLima, M. A. P.pt_BR
dc.contributor.authorGarcía, G.pt_BR
dc.contributor.authorLimão-Vieira, P.pt_BR
dc.contributor.authorBrunger, M. J.pt_BR
dc.subjectIonização, Seção de choque (Física nuclear), Elétrons - Espalhamentopt_BR
dc.subject.otherlanguageIonization, Cross sections (Nuclear physics), Electrons - Scatteringpt_BR
dc.description.abstractWe report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10 degrees and 90 degrees. The energy resolution of those experiments was typically similar to 80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail. (C) 2016 AIP Publishing LLC.en
dc.description.abstractWe report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10 degrees and 90 degrees. The energy resolution of those experiments was typically similar to 80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.pt_BR
dc.relation.ispartofJournal of chemical physicspt_BR
dc.relation.ispartofabbreviationJ. chem. phys.pt_BR
dc.publisher.cityMelville, NYpt_BR
dc.publisher.countryEstados Unidospt_BR
dc.publisherAIP Publishingpt_BR
dc.date.issued2016pt_BR
dc.date.monthofcirculationMar.pt_BR
dc.identifier.citationJournal Of Chemical Physics. Amer Inst Physics, v. 144, p. , 2016.pt_BR
dc.language.isoengpt_BR
dc.description.volume144pt_BR
dc.description.issuenumber12pt_BR
dc.description.firstpage1pt_BR
dc.description.lastpage12pt_BR
dc.rightsfechadopt_BR
dc.sourceWOSpt_BR
dc.identifier.issn0021-9606pt_BR
dc.identifier.eissn1089-7690pt_BR
dc.identifier.doi10.1063/1.4944615pt_BR
dc.identifier.urlhttps://aip.scitation.org/doi/10.1063/1.4944615pt_BR
dc.description.sponsorshipCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsorshipFAPEMIG - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE MINAS GERAISpt_BR
dc.description.sponsorshipFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsorship1CNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsorship1FAPEMIG - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE MINAS GERAISpt_BR
dc.description.sponsorship1FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.date.available2017-11-13T11:32:24Z-
dc.date.accessioned2017-11-13T11:32:24Z-
dc.description.provenanceMade available in DSpace on 2017-11-13T11:32:24Z (GMT). No. of bitstreams: 1 000373644400033.pdf: 755692 bytes, checksum: 55b5134de8c73eed7c6799c2105c7f34 (MD5) Previous issue date: 2016 Bitstreams deleted on 2020-09-02T13:42:06Z: 000373644400033.pdf,. Added 1 bitstream(s) on 2020-09-02T13:46:21Z : No. of bitstreams: 1 000373644400033.pdf: 634302 bytes, checksum: 95349b5d4c25b35769de1f36a2f3d9e1 (MD5)en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/326071-
dc.contributor.departmentDepartamento de Eletrônica Quânticapt_BR
dc.contributor.departmentDepartamento de Eletrônica Quânticapt_BR
dc.contributor.unidadeInstituto de Física Gleb Wataghinpt_BR
dc.contributor.unidadeInstituto de Física Gleb Wataghinpt_BR
dc.identifier.source000373644400033pt_BR
dc.creator.orcid0000-0003-4365-789Xpt_BR
dc.creator.orcid0000-0002-3602-1546pt_BR
dc.type.formArtigopt_BR
dc.identifier.articleid124309pt_BR
dc.description.sponsorNoteR.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP.pt_BR
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