Published January 27, 2022 | Version v1
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Modelling of multi-electronic processes occurring during atomic collisions

Description

In this thesis, we apply a non-perturbative semiclassical approach to describe the multi-electron processes occurring in non-relativistic ion-atom collisions. The treatment is semiclassical in the sense that the relative target-projectile motion is classically described by uniform rectilinear trajectories. In contrast, the electronic dynamics is treated in a quantum manner, by solving the time-dependent Schroedinger equation (TDSE) in a non-perturbative way. In our team, several codes have been developed to solve the TDSE. Their use has been strongly focused on taking into account a very large number of channels and all the couplings between them. These codes correspond to several thousand lines written in Fortran and can be applied to many collision systems. They are also the only ones that can handle collision systems with up to almost four active electrons. In the course of this work, we have studied several collision systems with respect to certain plasma diagnostic requirements (Li2+-H collision) and in relation to very recent experimental investigations (C4+, O6+, F7+-He heliumoid ion collisions and C3+-He collisions). In parallel, we have developed a code for constructing the electronic states to be included in the collision code, as this preliminary step is extremely important to describe the systems considered as well as to optimise the calculations, which are extremely CPU and memory intensive. (author)

Abstract (French)

Dans le cadre de cette these, nous appliquons une approche semiclassique non perturbative pour decrire les processus multi-electroniques se produisant lors de collisions ion-atome non-relativistes. Le traitement est semiclassique dans la mesure ou le mouvement relatif cible-projectile est decrit classiquement par des trajectoires rectilignes uniformes. En revanche, la dynamique electronique est traitee de maniere quantique, en resolvant de maniere non perturbative l'equation de Schroedinger dependant du temps (TDSE). Dans notre equipe, plusieurs codes ont ete developpes pour resoudre la TDSE. Leur utilisation a ete fortement axee sur la prise en compte d'un tres grand nombre de canaux ainsi que de tous les couplages entre ces derniers. Ces codes correspondent a plusieurs milliers de lignes ecrites en Fortran et peuvent etre appliques pour de nombreux systemes de collisions. Ils sont egalement les seuls a pouvoir traiter des systemes de collisions jusqu'a quasi quatre electrons actifs. Au cours de ce travail, nous avons etudie plusieurs systemes de collision au regard de certains besoins en diagnostic de plasma (collision Li2+- H) et en relation avec des investigations experimentales tres recentes (collisions ions heliumoides C4+, O6+, F7+-He et collisions C3+-He). En parallele, nous avons developpe un code permettant de construire les etats electroniques a inclure dans le code de collision, car cette etape prealable est extremement importante pour decrire au mieux les systemes consideres mais aussi pour optimiser les calculs qui sont extremement consommateurs en CPU et en memoire. (auteur)

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Additional details

Additional titles

Original title (English)
Modelisation de processus multielectroniques au cours de collisions atomiques

Publishing Information

Imprint Pagination
165 p.
Report number
FRNC-TH--13823

Optional Information

Notes
148 refs.; Available from the INIS Liaison Officer for France, see the INIS website for current contact and E-mail addresses