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Integral elastic, vibrational-excitation, electronic-state excitation, ionization, and total cross sections for electron scattering from para-benzoquinone

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Jones, D.B. and da Costa, R. F. and Kossoski, F. and Varella, M. T. do N and Bettega, M. H. F. and Garcia, G. and Blanco Ramos, Francisco and White, R. D. and Lima, M. A. P. and Brunger, M. J. (2018) Integral elastic, vibrational-excitation, electronic-state excitation, ionization, and total cross sections for electron scattering from para-benzoquinone. Journal of chemical physics, 148 (20). ISSN 0021-9606

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Official URL: http://dx.doi.org/10.1063/1.5028298


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https://aip.scitation.org/Publisher


Abstract

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.


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Additional Information:

© 2018 Author(s). This study was partially supported by the Australian Research Council (ARC) through Grant No. DP160120787. It was also partially supported by the Spanish Ministry MINECO (Project No. FIS2016-80440), the COST Action (No. CM301), and the ITN-Marie Curie (No. ARGENT-608163) European Union programme. M.A.P.L., M.T.do.N.V. (Grant I.D. No. 305672/2014-2), R.F.da.C., and M.H.F.B. all thank CNPq for financial support, while F.K. (Grant I.D. No. 2015/23792-5) also thanks FAPESP for financial support. Finally, M.H.F.B. acknowledges computational support from Professor Carlos de Carvalho at LFTC-DFis-UFPR and at LCPAD-UFPR and from CENAPAD-SP.

Uncontrolled Keywords:Low-energy-electron; Biomedical applications; Impact excitation; Metal-free; Transport; Pseudopotentials; Atmosphere; Collisions; Molecules; Battery
Subjects:Sciences > Physics > Nuclear physics
ID Code:51320
Deposited On:03 Apr 2019 10:51
Last Modified:05 May 2019 23:01

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