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Experimental and theoretical analysis for total electron scattering cross sections of benzene

dc.contributor.authorBlanco Ramos, Francisco
dc.contributor.authorotros, ...
dc.date.accessioned2023-06-17T13:35:24Z
dc.date.available2023-06-17T13:35:24Z
dc.date.issued2019-08-28
dc.description© 2019 Author(s). Artículo firmado por 13 autores. This study was partially supported by the Spanish Ministerio de Ciencia, Innovación y Universidades (Project No. FIS2016-80440) and by CSIC (Project No. LINKA20085). F.F.S. and P.L.V. acknowledge the Portuguese National Funding Agency FCT-MCTES [Research Grant Nos. UID/FIS/00068/2019 (CEFITEC), PTDC/FIS-AQM/31215/2017, and PTDC/FIS-AQM/31281/2017], while F. C. was supported by a Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT) grant (RaBBiT, PD/00193/2012) and UID/Multi/04378/2013 479 (UCIBIO). Partial financial support from the Australian Research Council through Grant No. DP180101655 was also acknowledged. A.S.B. acknowledges support from Brazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES). M.H.F.B. acknowledges support from Brazilian agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) and from FINEP (under project CTInfra). A.S.B. and M.H.F.B. also acknowledge computational support from Professor Carlos M. de Carvalho at LFTC-DFis-UFPR and at LCPAD-UFPR and from CENAPAD-SP. We all thank Dr. L. Campbell for his help in preparing this paper.
dc.description.abstractMeasurements of the total electron scattering cross sections (TCSs) from benzene, in the impact energy range of 1-1000 eV, are presented here by combining two different experimental systems. The first utilizes a magnetically confined electron transmission beam for the lower energies (1-300 eV), while the second utilizes a linear transmission beam apparatus for the higher energies (100-1000 eV). These cross sections have also been calculated by means of two different theoretical methods, the Schwinger Multichannel with Pseudo Potential (SMCPP) procedure, employing two different approaches to account for the polarization of the target for impact energies between 0.1 and 15 eV, and the Independent Atom Model with the Screening Corrected Additivity Rule including Interference effect (IAM-SCAR+I) paradigm to cover the 10-10 000 eV impact energy range. The present results are compared with available theoretical and experimental data, with the level of accord being good in some cases and less satisfactory in others, and some predicted resonances have been identified. In particular, we found a pi* shape resonance at 1.4 eV and another feature in the energy region 4.6-4.9 eV interpreted as a pi* resonance (B-2(2g) symmetry), which is a mixture of shape and a core excited resonance, as well as a Feshbach resonance at 5.87 eV associated with the 3s (a(1g)) Rydberg state. A Born-type formula to extrapolate TCS values for energies above 10 000 eV is also given. This study provides a complete set of TCS data, with uncertainty limits within 10%, ready to be used for modeling electron transport applications. Published under license by AIP Publishing.
dc.description.departmentDepto. de Estructura de la Materia, Física Térmica y Electrónica
dc.description.facultyFac. de Ciencias Físicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia e Innovación (MICINN)
dc.description.sponsorshipConsejo Superior de Investigaciones Científicas (CSIC)
dc.description.sponsorshipPortuguese National Funding Agency FCT-MCTES
dc.description.sponsorshipRadiation Biology and Biophysics Doctoral Training Programme (RaBBiT) grant
dc.description.sponsorshipAustralian Research Council
dc.description.sponsorshipBrazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES)
dc.description.sponsorshipBrazilian agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) National Council for Scientific and Technological Development (CNPq)
dc.description.sponsorshipFINEP (project CTInfra)
dc.description.statuspub
dc.eprint.idhttps://eprints.ucm.es/id/eprint/58058
dc.identifier.doi10.1063/1.5116076
dc.identifier.issn0021-9606
dc.identifier.officialurlhttp://dx.doi.org/10.1063/1.5116076
dc.identifier.relatedurlhttps://aip.scitation.org/
dc.identifier.urihttps://hdl.handle.net/20.500.14352/13811
dc.issue.number8
dc.journal.titleJournal of chemical physics
dc.language.isoeng
dc.publisherAmer Inst Physics
dc.relation.projectIDFIS2016-80440
dc.relation.projectIDLINKA20085
dc.relation.projectIDUID/FIS/00068/2019
dc.relation.projectIDPTDC/FIS-AQM/31215/2017
dc.relation.projectIDPTDC/FIS-AQM/31281/2017
dc.relation.projectIDPD/00193/2012
dc.relation.projectIDUID/Multi/04378/2013 479
dc.relation.projectIDDP180101655
dc.rights.accessRightsopen access
dc.subject.cdu539.1
dc.subject.keywordScreening corrections
dc.subject.keywordPositron scattering
dc.subject.keywordElastic-scattering
dc.subject.keywordTriplet-states
dc.subject.keywordNegative-ions
dc.subject.keywordMolecules
dc.subject.keywordPyrimidine
dc.subject.keywordImpact
dc.subject.keywordNitroimidazole
dc.subject.keywordTransmission
dc.subject.ucmFísica nuclear
dc.subject.unesco2207 Física Atómica y Nuclear
dc.titleExperimental and theoretical analysis for total electron scattering cross sections of benzene
dc.typejournal article
dc.volume.number151
dspace.entity.typePublication
relation.isAuthorOfPublicationfd97b031-5b10-40ab-beb5-8f192e632ca3
relation.isAuthorOfPublication.latestForDiscoveryfd97b031-5b10-40ab-beb5-8f192e632ca3

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