Étude de l’ionisation (e; 2e) et (y; 2e) de la molécule CO2 : application du modèle tri-centrique du continuum électronique

Abstract : This work presents a theoretical study of single electron impact ionization called (e, 2e) and the photo-double ionization (y, 2e) of the CO2 molecule. In these complete experiments, the emerging particles are detected in coincidence. This allows the study of the electronic structure of the target and the mechanisms of the ionization. The novelty of our approach is the introduction of a three-center Coulomb model (ThCC) satisfying the correct asymptotic conditions until the order of O ((kr) -2 in the description of emerging electrons through the first Born approximation. The initial state of the target is described by Dyson orbitals constructed on the basis of Gaussian functions. Empirical values for the screening of the three cores of the target due to the inactive electrons and to Sommerfeld parameters in the interaction potential and Coulomb functions, respectively, are introduced to obtain a better agreement with the experimental results. In the case of photo-double ionization, the double continuum is described by a correlated three centers model
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Theses
File URL :
http://docnum.univ-lorraine.fr/prive/DDOC_T_2016_0038_ALWAN.pdf
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https://hal.univ-lorraine.fr/tel-01754685
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Submitted on : Friday, March 30, 2018 - 9:57:42 AM
Last modification on : Saturday, March 31, 2018 - 1:24:37 AM

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Osman Alwan. Étude de l’ionisation (e; 2e) et (y; 2e) de la molécule CO2 : application du modèle tri-centrique du continuum électronique. Autre [cond-mat.other]. Université de Lorraine, 2016. Français. ⟨NNT : 2016LORR0038⟩. ⟨tel-01754685⟩

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