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Constraints on the nuclear energy density functional and new possible analytical forms / Contraintes sur la fonctionnelle de la densite d'energie nucleaire et nouvelles formes analytiques possiblesSadoudi, Jeremy 21 September 2011 (has links)
La méthode dite de la fonctionnelle de la densité d'énergie (EDF) est l'outil théorique de référence pour l'étude systématique de la structure des noyaux atomiques de masse A>20. La méthode EDF est formulée en deux étapes successives consistant à briser puis à restaurer les symétries du Hamiltonien nucléaire sous-jacent. La technique de restauration des symétries n'est cependant rigoureusement formulée que si la fonctionnelle d'énergie dérive explicitement d'une interaction effective, i.e. d'un pseudo-potentiel, ce qui constitue un cas particulier de la méthode EDF plus générale. Ainsi, et comme cela a été démontré récemment, l'utilisation des paramétrisations existantes des fonctionnelles d'énergie conduit à l'obtention de résultats non physiques. Le pouvoir prédictif limité des fonctionnelles d'énergie existantes et leur inocuité relative à la restauration des symétries, nécessitent aujourd'hui de repenser leur méthode de construction. La première partie de ce travail a été dédié à l'analyse approfondie du problème associé à la restauration de symétrie et à l'identification de pistes permettant de contraindre la forme analytique des fonctionnelles d'énergie ne dérivant pas d'un pseudo-potentiel indépendant du système. La seconde partie a consisté à développer un pseudo-potentiel rendant la restauration des symétries automatiquement bien définie. Les difficultés de ce travail ont résidé dans (i) l'identification de la complexité minimale du pseudo-potentiel nécessaire à l'obtention d'une fonctionnelle d'énergie assez flexible pour égaler, et si possible améliorer, les performances des paramétrisations existantes, (ii) la dérivation analytique de la fonctionnelle et des champs à un corps découlant de celle ci, (iii) l'implémentation de ces derniers dans les codes de calculs, et dans (iv) le développement d'un protocole d'ajustement des paramètres adapté à la nouvelle fonctionnelle d'énergie ainsi développée. Les premiers résultats obtenus ont permis de valider l'approche en démontrant la flexibilité suffisante du pseudo-potentiel au niveau des calculs réalisés sans restauration des symétries. / The theoretical tool of choice for the microscopic description of all medium- and heavy-mass nuclei is the Energy Density Functional (EDF) method. Such a method relies on the concept of spontaneous symmetry breaking and restoration. In that sense, it is intrinsically a two-step approach. However, the symmetry restoration procedure is only well-defined in the particular case where the energy functional derives from a pseudo-potential. Thereby and as it has been recently shown, existing parameterizations of the energy functional provides unphysical results. Such a problem as well as the lack of predictive power call for developing new families of functionals. The first part of the present work is devoted to a study of the symmetry restoration problem and to the identification of properties that could constrain the analytic form of energy functionals that do not derive from a pseudo-potential. The second part deals with the construction of an energy functional that derives from a pseudo potential. The difficulties of such work are (i) the identification of the minimal complexity of the pseudo-potential necessary to obtain an energy functional that is flexible enough to provide high-quality EDF parameterizations, (ii) the tedious analytical derivation of the functional and of the associated one-body fields, (iii) the implementation of the latter in existing codes, and (iv) the development of an efficient fitting procedure. Eventually, it seems possible to generate a parameterization that strictly derives from a pseudo-potential and that provides as good results as state-of-the-art (quasi) bilinear functionals.
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Constraints on the nuclear energy density functional and new possible analytical formsSadoudi, Jérémy 21 September 2011 (has links) (PDF)
The theoretical tool of choice for the microscopic description of all medium- and heavy-mass nuclei is the Energy Density Functional (EDF) method. Such a method relies on the concept of spontaneous symmetry breaking and restoration. In that sense, it is intrinsically a two-step approach. However, the symmetry restoration procedure is only well-defined in the particular case where the energy functional derives from a pseudo-potential. Thereby and as it has been recently shown, existing parameterizations of the energy functional provides unphysical results. Such a problem as well as the lack of predictive power call for developing new families of functionals. The first part of the present work is devoted to a study of the symmetry restoration problem and to the identification of properties that could constrain the analytic form of energy functionals that do not derive from a pseudo-potential. The second part deals with the construction of an energy functional that derives from a pseudo potential. The difficulties of such work are (i) the identification of the minimal complexity of the pseudo-potential necessary to obtain an energy functional that is flexible enough to provide high-quality EDF parameterizations, (ii) the tedious analytical derivation of the functional and of the associated one-body fields, (iii) the implementation of the latter in existing codes, and (iv) the development of an efficient fitting procedure. Eventually, it seems possible to generate a parameterization that strictly derives from a pseudo-potential and that provides as good results as state-of-the-art (quasi) bilinear functionals.
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