Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/130350
COMPARTIR / EXPORTAR:
logo share SHARE logo core CORE BASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE

Invitar a revisión por pares abierta
Título

Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel

AutorCosta, R.F. da; De Oliveira, E.M.; Bettega, Márcio H.F.; Varella, M.T.D.N.; Jones, D.B.; Brunger, M.J.; Blanco, F.; Colmenares, R.; Limão-Vieira, P.; García, Gustavo CSIC ORCID; Lima, M.A.P.
Fecha de publicación10-mar-2015
EditorAmerican Institute of Physics
CitaciónJournal of Chemical Physics 142: 104304 (2015)
Resumen© 2015 AIP Publishing LLC. We report theoretical and experimental total cross sections for electron scattering by phenol (C6H5OH). The experimental data were obtained with an apparatus based in Madrid and the calculated cross sections with two different methodologies, the independent atom method with screening corrected additivity rule (IAM-SCAR), and the Schwinger multichannel method with pseudopotentials (SMCPP). The SMCPP method in the Nopen-channel coupling scheme, at the static-exchange-plus-polarization approximation, is employed to calculate the scattering amplitudes at impact energies ranging from 5.0 eV to 50 eV. We discuss the multichannel coupling effects in the calculated cross sections, in particular how the number of excited states included in the open-channel space impacts upon the convergence of the elastic cross sections at higher collision energies. The IAM-SCAR approach was also used to obtain the elastic differential cross sections (DCSs) and for correcting the experimental total cross sections for the so-called forward angle scattering effect. We found a very good agreement between our SMCPP theoretical differential, integral, and momentum transfer cross sections and experimental data for benzene (a molecule differing from phenol by replacing a hydrogen atom in benzene with a hydroxyl group). Although some discrepancies were found for lower energies, the agreement between the SMCPP data and the DCSs obtained with the IAM-SCAR method improves, as expected, as the impact energy increases. We also have a good agreement among the present SMCPP calculated total cross section (which includes elastic, 32 inelastic electronic excitation processes and ionization contributions, the latter estimated with the binary-encounter-Bethe model), the IAM-SCAR total cross section, and the experimental data when the latter is corrected for the forward angle scattering effect [Fuss et al., Phys. Rev. A 88, 042702 (2013)].
Descripción14 págs.; 12 figs.; 2 tabs.
Versión del editorhttp://dx.doi.org/10.1063/1.4913824
URIhttp://hdl.handle.net/10261/130350
DOI10.1063/1.4913824
Identificadoresdoi: 10.1063/1.4913824
issn: 0021-9606
Aparece en las colecciones: (CFMAC-IFF) Artículos




Ficheros en este ítem:
Fichero Descripción Tamaño Formato
Electron.pdf1,6 MBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo

CORE Recommender

SCOPUSTM   
Citations

45
checked on 16-abr-2024

WEB OF SCIENCETM
Citations

45
checked on 24-feb-2024

Page view(s)

265
checked on 19-abr-2024

Download(s)

341
checked on 19-abr-2024

Google ScholarTM

Check

Altmetric

Altmetric


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.