| Texto completo | |
| Autor(es): |
Jones, D. B.
[1]
;
da Costa, R. F.
[2, 3]
;
Kossoski, F.
[2]
;
Varella, M. T. do N.
[4]
;
Bettega, M. H. F.
[5]
;
Garcia, G.
[6]
;
Blanco, F.
[7]
;
White, R. D.
[8]
;
Lima, M. A. P.
[2]
;
Brunger, M. J.
[1]
Número total de Autores: 10
|
| Afiliação do(s) autor(es): | [1] Flinders Univ S Australia, Coll Sci & Engn, GPO Box 2100, Adelaide, SA 5001 - Australia
[2] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP - Brazil
[3] Univ Fed Espirito Santo, Dept Fis, Ctr Ciencias Exatas, BR-29075901 Vitoria, ES - Brazil
[4] Univ Sao Paulo, Inst Fis, Rua Matao 1731, BR-05508090 Sao Paulo, SP - Brazil
[5] Univ Fed Parana, Dept Fis, CP 19044, BR-81531990 Curitiba, Parana - Brazil
[6] CSIC, Inst Fis Fundamental, Serrano 113 Bis, E-28006 Madrid - Spain
[7] Univ Complutense Madrid, Dept Fis Atom Mol & Nucl, E-28040 Madrid - Spain
[8] James Cook Univ, Coll Sci & Engn, Townsville, Qld 4811 - Australia
Número total de Afiliações: 8
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Journal of Chemical Physics; v. 148, n. 20 MAY 28 2018. |
| Citações Web of Science: | 2 |
| Resumo | |
We report absolute experimental integral cross sections (ICSs) for the electron impact excitation of 6 bands (Bands 0-V) of unresolved electronic-states in para-benzoquinone, for incident electron energies between 20 and 40 eV. Absolute vibrational-excitation ICSs, for 3 composite vibrational bands (Bands I-III), are also reported in that same energy range. In addition, ICSs calculated within our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section (TCS) for electron-para-benzoquinone scattering. Where possible, those calculated IAM-SCAR+I ICSs are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, we also present results from our Schwinger multichannel method with pseudopotential (SMCPP) calculations. Here elastic ICSs and ICSs corresponding to the Bands 0-III of unresolved electronic-states are presented, with agreement between the SMCPP electronic-state ICSs and those from our measurements being in good qualitative accord. The energy range of our SMCPP computations is 16-50 eV. Using the binary-encounter-Bethe (BEB) approach, total ionization cross sections for this collision system were computed. Those total ionization cross sections were then added to our SMCPP ICS results, to derive SMCPP/BEB TCSs that are typically in very good accord with those from our IAM-SCAR+I approach. Published by AIP Publishing. (AU) | |
| Processo FAPESP: | 15/23792-5 - Dinâmica semiclássica não-adiabática de ânions transientes |
| Beneficiário: | Fábris Kossoski |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |