https://doi.org/10.1140/epjd/e2015-60095-6
Regular Article
Electron- and proton-induced ionization of pyrimidine*
1
Université de Bordeaux, CNRS/IN2P3, Centre d’Études Nucléaires de
Bordeaux Gradignan, 33
175
Gradignan Cedex,
France
2
Sandia National Laboratories, Albuquerque, NM
87185,
USA
a e-mail: champion@cenbg.in2p3.fr
Received:
12
February
2015
Received in final form:
27
March
2015
Published online:
14
May
2015
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.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2015
