https://doi.org/10.1140/epjd/e2015-60005-0
Regular Article
Effect of orthogonalization on total ionization cross sections by electron impact: application to small molecules
1
LPQSD, Department of Physics, Faculty of Sciences, University
Setif 1, 19000
Setif,
Algeria
2
SRSMC, UMR CNRS 7565, University of Lorraine,
BP 70239, 54506
Vandoeuvre-lès-Nancy,
France
3
USTHB, Faculty of Physics, Department of theoretical
physics, 16111
Algiers,
Algeria
4
Faculty of Physics, Lomonosov Moscow State
University, 119991
Moscow,
Russia
5
Institute of Condensed Matter and Nanosciences, Université
catholique de Louvain, 2, chemin du
Cyclotron, Box L7.01.07, 1348
Louvain-la-Neuve,
Belgium
6
School of Mathematical Sciences, Ramakrishna Mission Vivekananda
University, P.O. Belur
Math, 711202
West Bengal,
India
a
e-mail: shouamer@univ-setif.dz
Received: 2 January 2015
Published online: 24 March 2015
Total ionization cross sections by electron impact are calculated for H2O, NH3 and CH4 molecules by using an improved first Born approximation which has been previously applied for atomic targets by Bartlett and Stelbovics [P.L. Bartlett, A.T. Stelbovics, Phys. Rev. A 66, 012707 (2002)]. In this model a full orthogonalization of the final state to the initial state has been performed to evaluate the cross sections. One center wave functions are employed to describe the molecular orbitals. It is shown that the results obtained in the present model are immensely improved when compared with the first Born model without orthogonalization. Furthermore, an overall agreement is also observed when a comparison is made with the experimental data.
Key words: Atomic and Molecular Collisions
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2015