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Two-electron processes and correlation effects in ion-atom collisions : a close-coupling approach at intermediate energies

Abstract : This thesis presents a non perturbative theory to describe multi-electronic processes occurring in the course of ion-atom collisions. The treatment is semiclassical in that the relative target-projectile motion is described by classical straight-line constant velocity trajectories, while the electronic dynamics is treated quantum mechanically, by solving non perturbatively the time-dependent Schödinger equation. The treatment has been implemented in a new version of two-active-electron computer code. Besides the long and complex development and tests of the code, the last three years have been especially devoted to understanding of the physics of specific heavy particle scattering events. We have undertaken the study of three collision systems with various features: (i) low charge ion-ion collisions with an extreme importance of electronic correlation (H+ + H− collisions), (ii) multiply charged projectile-atom collisions (C4+ + He) and (iii) He+ + He collisions with the dynamical treatment of the three electrons. Our guideline was always to target systems for which experimental and theoretical results were available (at least in some energy domain), with still open questions, related, for example, to strong disagreement between the various data. We have tried as much as our computing resources and allowed it to produce results with controlled convergence. These investigations were carried out in a very wide, up to three decades, energy domain with same collision description (i.e. same basis sets), which brought continuity and coherence on the predictions and the interpretations of the results and of the underlying mechanisms giving rise to the processes considered.
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Submitted on : Monday, September 21, 2020 - 4:19:09 PM
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  • HAL Id : tel-02944710, version 1

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Junwen Gao. Two-electron processes and correlation effects in ion-atom collisions : a close-coupling approach at intermediate energies. Atomic Physics [physics.atom-ph]. Sorbonne Université; China Academy of Engineering Physics (Chine ; 1958-..), 2019. English. ⟨NNT : 2019SORUS117⟩. ⟨tel-02944710⟩

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