Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/85505
Type: Artigo
Title: Differential cross sections for electron impact excitation of the electronic bands of phenol
Author: Neves, R. F. C.
Jones, D. B.
Lopes, M. C. A.
Nixon, K. L.
Silva, G. B. da
Duque, H. V.
Oliveira, E. M. de
Costa, R. F. da
Varella, M. T. do N.
Bettega, M. H. F.
Lima, M. A. P.
Ratnavelu, K.
García, G.
Brunger, M. J.
Abstract: We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C6H5OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C6H5OH. The measurements were carried out at energies in the range 15-40 eV, and for scattered-electron angles between 10 and 90. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, 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 conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI.
We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C6H5OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C6H5OH. The measurements were carried out at energies in the range 15-40 eV, and for scattered-electron angles between 10 and 90. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, 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 conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI.
Subject: Elétrons - Espalhamento
Seção de choque (Física nuclear)
Excitação eletrônica
Country: Estados Unidos
Editor: AIP Publishing
Citation: Journal Of Chemical Physics. American Institute Of Physics Inc., v. 142, n. 10, p. - , 2015.
Rights: aberto
Identifier DOI: 10.1063/1.4913825
Address: https://aip.scitation.org/doi/10.1063/1.4913825
Date Issue: 2015
Appears in Collections:IFGW - Artigos e Outros Documentos

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