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Electron- and proton-induced ionization of pyrimidine

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Abstract

The present work describes a quantum-mechanically based model of the electron- and proton-induced ionization of isolated pyrimidine molecules. The impact energies range from the target ionization threshold up to ∼1 keV for electrons and from 10 keV up to 10 MeV for protons. The cross-section calculations are performed within the 1st Born approximation in which the ejected electron is described by a Coulomb wave whereas the incident and the scattered projectiles are both described by plane waves. The pyrimidine target is described using the Gaussian 09 software package. The theoretical predictions obtained are in good agreement with experimental absolute total cross sections, while large discrepancies are observed between existing semi-empirical models and the present calculations.

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Authors and Affiliations

  1. CNRS/IN2P3, Centre d’Études Nucléaires de Bordeaux Gradignan, Université de Bordeaux, 33 175, Gradignan Cedex, France

    Christophe Champion & Michele A. Quinto

  2. Sandia National Laboratories, Albuquerque, NM, 87185, USA

    Philippe F. Weck

Authors
  1. Christophe Champion
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  2. Michele A. Quinto
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  3. Philippe F. Weck
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Correspondence to Christophe Champion.

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Contribution to the Topical Issue “COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy”, edited by Andrey Solov’yov, Nigel Mason, Gustavo García, Eugene Surdutovich.

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Champion, C., Quinto, M.A. & Weck, P.F. Electron- and proton-induced ionization of pyrimidine. Eur. Phys. J. D 69, 127 (2015). https://doi.org/10.1140/epjd/e2015-60095-6

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  • DOI: https://doi.org/10.1140/epjd/e2015-60095-6

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