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Effect of orthogonalization on total ionization cross sections by electron impact: application to small molecules

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Abstract

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.

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Authors and Affiliations

  1. LPQSD, Department of Physics, Faculty of Sciences, University Setif 1, 19000, Setif, Algeria

    Samra Nehaoua, Salim Houamer & Mehdi Chinoune

  2. SRSMC, UMR CNRS 7565, University of Lorraine, BP 70239, 54506, Vandoeuvre-lès-Nancy, France

    Claude Dal Cappello

  3. Faculty of Physics, Department of theoretical physics, USTHB, 16111, Algiers, Algeria

    Mehdi Chinoune

  4. Faculty of Physics, Lomonosov Moscow State University, 119991, Moscow, Russia

    Alexander Galstyan

  5. Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 2, chemin du Cyclotron, Box L7.01.07, 1348, Louvain-la-Neuve, Belgium

    Alexander Galstyan

  6. School of Mathematical Sciences, Ramakrishna Mission Vivekananda University, P.O. Belur Math, 711202, West Bengal, India

    Amulya Chandra Roy

Authors
  1. Samra Nehaoua
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  2. Salim Houamer
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  3. Claude Dal Cappello
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Correspondence to Salim Houamer.

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Nehaoua, S., Houamer, S., Dal Cappello, C. et al. Effect of orthogonalization on total ionization cross sections by electron impact: application to small molecules. Eur. Phys. J. D 69, 86 (2015). https://doi.org/10.1140/epjd/e2015-60005-0

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