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Etude par propagation de paquets d'ondes de la dynamique du transfert électronique

Abstract : The present work adresses a theoretical and numerical study of the resonant charge transfer (RCT) process during a collision between an atom (ion) and a metal surface. The RCT corresponds to a passage of an electron from the atom to the metal without an energy change. We study the RCT in the systems with several localised states. These states can be localised on the projectile only, or on the projectile and on the impurity at the surface. Special attention is paid to the transitions induced by the projectile motion between different states of the system. The Wave Packet Propagation Method, which consists in numerical on the grid solution of the timedependent Schrödinger equation, is used in this work. In the first part of this work, we study the local perturbation of the RCT between the projectile (H- ion) and the metal surface (Al or Cu(111)), induced by the presence on an alkali adsorbate (Li or Cs). Special attention is paid to the 3-body character of the RCT (the electron interaction with the projectile, the adsorbate and the substrate). The results for Cu(111), which has a projected band gap in the direction normal to the surface, are very different from the results for Al, which is a prototype for free-electron metal. In the second part of this work, we study the RCT between the Rydberg atoms (Xe) and a metal surface, in an external electric field. The collision-induced transitions between different states of the projectile affect the RCT. Our results allow understanding of recent experimental results by the group of F.B. Dunning, Houston, USA. The present work shows the importance of an explicit study of the dynamics of RCT in course of collision between an atom (ion) and a metal surface for the understanding of atom (ion) - surface interaction.
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Submitted on : Thursday, March 10, 2005 - 2:12:46 PM
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Jelena Sjakste. Etude par propagation de paquets d'ondes de la dynamique du transfert électronique. Physique Atomique [physics.atom-ph]. Université Paris Sud - Paris XI, 2004. Français. ⟨tel-00008743⟩

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