La théorie de la supraconductivité, modélisée par Ginzburg et Landau, motive les travaux relatifs à l'opérateur de Schrödinger avec champ magnétique. L'objet de cette thèse est d'analyser l'influence de la géométrie du domaine sur l'apparition de la supraconductivité en étendant les résultats existant pour des domaines réguliers à des domaines à coins. L'analyse semi-classique conduit à étudier trois opérateurs modèles : la réalisation de Neumann de l'opérateur de Schrödinger avec champ magnétique constant sur le plan, le demi-plan et les secteurs angulaires. L'étude des deux premiers est bien connue et nous nous concentrons sur le dernier. Après avoir déterminé le bas du spectre essentiel, nous montrons que le bas du spectre est une valeur propre pour un secteur d'angle aigu. Nous explicitons le développement limité de la plus petite valeur propre quand l'angle du secteur tend vers 0 et précisons la localisation de l'état fondamental grâce aux techniques d'Agmon. Nous illustrons et estimons ensuite le comportement des vecteurs et valeurs propres à l'aide d'outils numériques basés sur la méthode des éléments finis. La localisation de l'état fondamental rend le problème discret très mal conditionné mais l'analyse des propriétés de l'opérateur et des défauts des méthodes classiques permet malgré tout de mettre en oeuvre un algorithme robuste et efficace calculant l'état fondamental. Afin d'améliorer les résultats numériques, nous construisons des estimateurs a posteriori pour ce problème aux valeurs propres et utilisons les techniques de raffinement de maillages pour localiser l'état propre dans des domaines généraux et étudier la variation du bas du spectre en fonction de l'angle du secteur.

Ce travail de thèse a pour but l'étude expérimentale et théorique de l'interaction de la molécule H2 avec des impulsions laser de durée inférieure à 10fs. L'éjection des deux électrons de la molécule par le champ laser conduit à la fragmentation du système en deux protons. Ce processus est appelé explosion coulombienne. La mesure des spectres d'énergie cinétique des protons permet d'analyser les dynamiques électronique et nucléaire en fonction des différents paramètres laser. Ces dynamiques sont également analysées dans le cadre d'un modèle théorique non perturbatif, à deux électrons actifs, basé sur l'équation de Schrödinger dépendant du temps. Dans ce modèle, la distance internucléaire est traitée de façon quantique.<br /><br /><br />La complémentarité des résultats expérimentaux et théoriques permet de mettre en évidence la translation des spectres d'énergie cinétique vers les énergies plus élevées lorsque la durée de l'impulsion diminue. Cette étude est réalisée pour des impulsions dans la gamme de 40 à 10fs expérimentalement et jusqu'à 1fs théoriquement. Cette étude montre également que, pour des durées d'impulsion laser inférieures à 4fs, la phase absolue devient un paramètre essentiel à prendre en compte. En outre, la dynamique moléculaire de H2 en champ laser intense ultracourt est également sensible à la valeur de l'éclairement crête de l'impulsion. Les résultats théoriques et expérimentaux montrent que les spectres d'énergie sont centrés autour d'une énergie plus élevée quand l'éclairement augmente. Par ailleurs, deux régimes d'ionisation double sont également mis en évidence théoriquement pour des impulsions de 4fs. La sensibilité de H2 à la qualité temporelle de l'impulsion laser permet une détection, par l'intermédiaire des spectres expérimentaux d'énergie cinétique, des pré- ou post-impulsions susceptibles d'apparaître autour de l'impulsion laser principale. Enfin, les différents types d'ionisation double sont étudiés et les résultats mettent en évidence la dynamique électronique attoseconde de la recollision et l'influence de cette dernière sur la dynamique nucléaire femtoseconde.

Dans cette thèse nous étudions quelques problèmes inverses de valeurs au bord en dimension deux. Les problèmes considérés sont le problème de Calderon et le problème de Gel'fand-Calderon dans le cas scalaire et multi-canal, c'est-à-dire matriciel : cela peut etre vu notamment comme une approximation non-surdéterminée du cas tridimensionnel. Nous montrons d'abord quelques résultats pour le problème de Calderon anisotrope : nous présentons une nouvelle formulation du résultat d'unicité sur le plan ainsi que le premier résultat d'unicité globale pour le cas des surfaces à bord. Après, nous démontrons une nouvelle estimation de stabilité globale pour le problème de Gel'fand-Calderon dans le cas scalaire et multi-canal. Des techniques similaires donnent aussi une procédure de reconstruction globale pour le meme problème. Nous proposons ensuite un algorithme d'approximation rapidement convergent pour le problème de Gel'fand-Calderon multi-canal : cet algorithme est principalement motivé par des résultats de la théorie de diffusion inverse multi-dimensionnelle. Comme derniers résultats nous présentons des nouvelles estimations de stabilité globale pour les deux problèmes mentionnés plus haut qui dépendent explicitement de la régularité et de l'énergie.

What is in common between the Kepler problem, a Hydrogen atom and a rotating black- hole? These systems are described by different physical theories, but much information about them can be obtained by separating an appropriate Hamilton-Jacobi equation. The separation of variables of the Hamilton-Jacobi equation is an old but still powerful tool for obtaining exact solutions. The goal of this thesis is to present the theory and application of a certain type of conformal Killing tensor (hereafter called concircular tensor) to the separation of variables problem. The application is to spaces of constant curvature, with special attention to spaces with Euclidean and Lorentzian signatures. The theory includes the general applicability of concircular tensors to the separation of variables problem and the application of warped products to studying Killing tensors in general and separable coordinates in particular. Our first main result shows how to use these tensors to construct a special class of separable coordinates (hereafter called Kalnins-Eisenhart-Miller (KEM) coordinates) on a given space. Conversely, the second result generalizes the Kalnins-Miller classification to show that any orthogonal separable coordinates in a space of constant curvature are KEM coordinates. A closely related recursive algorithm is defined which allows one to intrinsically (coordinate independently) search for KEM coordinates which separate a given (natural) Hamilton-Jacobi equation. This algorithm is exhaustive in spaces of constant curvature. Finally, sufficient details are worked out, so that one can apply these procedures in spaces of constant curvature using only (linear) algebraic operations. As an example, we apply the theory to study the separability of the Calogero-Moser system.

Neste trabalho, são apresentados os aspectos essenciais da teoria de espalhamento inverso e suas aplicações ao estudo de equações de evolução não lineares. A teoria de espalhamento do operador de Schrõdinger para potenciais decaindo a limites definidos ao x + ± oo e considerada primeira com aplicações ao problema de valor inicial para a equação de Korteweg- de Vries. Segue uma discussão da teoria de espalhamento para sistemas AKNS, uma classe de problemas de autovalores direta ou indiretamente relacionada com a maior parte das equações de evolução não lineares solúveis pelo método de espalhamento inverso de interesse na prática . Uma equação não linear recentemente encontrada solúvel por esse método é discutida no Último capítulo em conexão com o problema de espalhamento de Shimizu- Wadati. Muitos tópicos importantes não são tratados aqui, incluindo o caso periódico da equação de Korteweg- de Vries, leis de conservação, formalismos Hamiltonianos, transformações de Bäcklund, comportamento assintótico das soluções ao t + co e teoria de perturbação. / In this work, it is presented the essential aspects of the theory of the inverse scattering transform and its applications to the study of nonlinear evolution equations. The scattering theory of the Schródinger operator for either bump- or steplike potencials is considered first, and applications to the initial value problem for the Korteweg- de Vries equation are given. There follows a discussion of the scattering theory for AKNS systems, a class of spectral problems which is ultimately related to most of the interesting nonlinear evolution equations solvable by the inverse scattering method. A recently found integrable equation is discussed in the last chapter in' connection with the scattering problem of Shimizu- Wadati. Many important topics are not considered here, such as the periodic case for the Korteweg- de Vries equation, conservation lav/S, Hamiltonian formalisms, Bäcklund transforrnations, long-time asymptotic behavior of solutions , and perturbation theory.

Submitted by Arianne Vellasco Gomes (ariannevellasco@gmail.com) on 2018-06-15T18:52:22Z No. of bitstreams: 1 Arianne_Vellasco_Gomes_TESE_POSMAT_2018.pdf: 4211125 bytes, checksum: 16221f3149817fbc6e4db2f2026f2f14 (MD5) / Approved for entry into archive by Lucilene Cordeiro da Silva Messias null (lubiblio@bauru.unesp.br) on 2018-06-18T17:39:32Z (GMT) No. of bitstreams: 1 gomes_av_dr_bauru.pdf: 3510911 bytes, checksum: 2abe98b4f93107bb6dc267a184ebef70 (MD5) / Made available in DSpace on 2018-06-18T17:39:32Z (GMT). No. of bitstreams: 1 gomes_av_dr_bauru.pdf: 3510911 bytes, checksum: 2abe98b4f93107bb6dc267a184ebef70 (MD5) Previous issue date: 2018-04-17 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / Tópicos fundamentais da estrutura eletrônica de materiais cristalinos, são investigados de forma generalizada mediante o Cálculo Fracionário. São calculadas as bandas de energia, as funções de Bloch e as funções de Wannier, para a equação de Schrödinger fracionária com derivada de Riesz. É apresentado um estudo detalhado do caráter não local desse tipo de derivada fracionária. Resolve-se a equação de Schrödinger fracionária para o modelo de Kronig-Penney e estuda-se os efeitos da ordem da derivada e da intensidade do potencial. Verificou-se que, ao passar da derivada de segunda ordem para derivadas fracionárias, o comportamento assintótico das funções de Wannier muda apreciavelmente. Elas perdem o decaimento exponencial, e exibem um decaimento acentuado em forma de potência. Fórmulas simples foram dadas para as caudas das funções de Wannier. A banda de energia mais baixa mostrou-se estar relacionada ao estado ligado de um único poço quântico. Sua função de onda também apresentou decaimento em lei de potência. As bandas de energia superiores mudam de comportamento em função da intensidade do potencial. No caso inteiro, a largura de cada uma dessas bandas diminui. No caso fracionário, diminui inicialmente e depois volta a aumentar, aproximando-se de um valor infinito à medida que a intensidade do potencial tende ao infinito. O grau de localização das funções de Wannier, expresso pelo desvio padrão da posição, mostra um comportamento similar ao da largura das bandas de energia. Além dos cristais perfeitos a Ciência de Materiais estuda cristais com defeito. Os defeitos são responsáveis por muitas propriedades de interesse tecnológico e podem induzir estados localizados. Neste trabalho, calculado o estado localizado de menor energia no modelo de Kronig-Penney fracionário com defeito, mediante método das transformadas de Fourier e das funções de Wannier. Verificou-se que este estado também decai em forma de lei de potência. / Basics topics on the electronic structure of crystalline materials are investigated in a generalized fashion through Fractional Calculus. The energy bands, the Bloch and Wannier functions for the fractional Schr odinger equation with Riesz derivative are calculated. The non-locality of the Riesz fractional derivative is analyzed. The fractional Schr odinger equation is solved for the Kronig-Penney model and the e ects of the derivative order and the potential intensity are studied. It was shown that moving from the integer to the fractional order strongly a ects the asymptotic behavior of the Wannier functions. They lose the exponential decay, gaining a strong power-law decay. Simple formulas have been given for the tails of the Wannier functions. A close relatim between the lowest energy band and the bound state of a single quantum well was found. The wavefunction of the latter decays as a power law. Higher energy bands change their behavior as the periodic potential gets stronger. In the integer case, the width of each one of those bands decreases. In the fractional case, it initially decreases and then increases. The width approaching a nite value as the strength tends to in nity. The degree of localization of the Wannier functions, as expressed by the position standard deviation, behaves similarly to the width of the energy bands. In addition to perfect crystals, Materials Science studies defective crystals. Defects are responsible for many properties of technological interest and can induce localized states. In this work, the localized state of lowest energy in the fractional Kronig-Penney model with defect is calculated through of the Fourier transform method and the Wannier functions. It was shown that is decays as a power law.

Neste trabalho, são apresentados os aspectos essenciais da teoria de espalhamento inverso e suas aplicações ao estudo de equações de evolução não lineares. A teoria de espalhamento do operador de Schrõdinger para potenciais decaindo a limites definidos ao x + ± oo e considerada primeira com aplicações ao problema de valor inicial para a equação de Korteweg- de Vries. Segue uma discussão da teoria de espalhamento para sistemas AKNS, uma classe de problemas de autovalores direta ou indiretamente relacionada com a maior parte das equações de evolução não lineares solúveis pelo método de espalhamento inverso de interesse na prática . Uma equação não linear recentemente encontrada solúvel por esse método é discutida no Último capítulo em conexão com o problema de espalhamento de Shimizu- Wadati. Muitos tópicos importantes não são tratados aqui, incluindo o caso periódico da equação de Korteweg- de Vries, leis de conservação, formalismos Hamiltonianos, transformações de Bäcklund, comportamento assintótico das soluções ao t + co e teoria de perturbação. / In this work, it is presented the essential aspects of the theory of the inverse scattering transform and its applications to the study of nonlinear evolution equations. The scattering theory of the Schródinger operator for either bump- or steplike potencials is considered first, and applications to the initial value problem for the Korteweg- de Vries equation are given. There follows a discussion of the scattering theory for AKNS systems, a class of spectral problems which is ultimately related to most of the interesting nonlinear evolution equations solvable by the inverse scattering method. A recently found integrable equation is discussed in the last chapter in' connection with the scattering problem of Shimizu- Wadati. Many important topics are not considered here, such as the periodic case for the Korteweg- de Vries equation, conservation lav/S, Hamiltonian formalisms, Bäcklund transforrnations, long-time asymptotic behavior of solutions , and perturbation theory.

Neste trabalho, são apresentados os aspectos essenciais da teoria de espalhamento inverso e suas aplicações ao estudo de equações de evolução não lineares. A teoria de espalhamento do operador de Schrõdinger para potenciais decaindo a limites definidos ao x + ± oo e considerada primeira com aplicações ao problema de valor inicial para a equação de Korteweg- de Vries. Segue uma discussão da teoria de espalhamento para sistemas AKNS, uma classe de problemas de autovalores direta ou indiretamente relacionada com a maior parte das equações de evolução não lineares solúveis pelo método de espalhamento inverso de interesse na prática . Uma equação não linear recentemente encontrada solúvel por esse método é discutida no Último capítulo em conexão com o problema de espalhamento de Shimizu- Wadati. Muitos tópicos importantes não são tratados aqui, incluindo o caso periódico da equação de Korteweg- de Vries, leis de conservação, formalismos Hamiltonianos, transformações de Bäcklund, comportamento assintótico das soluções ao t + co e teoria de perturbação. / In this work, it is presented the essential aspects of the theory of the inverse scattering transform and its applications to the study of nonlinear evolution equations. The scattering theory of the Schródinger operator for either bump- or steplike potencials is considered first, and applications to the initial value problem for the Korteweg- de Vries equation are given. There follows a discussion of the scattering theory for AKNS systems, a class of spectral problems which is ultimately related to most of the interesting nonlinear evolution equations solvable by the inverse scattering method. A recently found integrable equation is discussed in the last chapter in' connection with the scattering problem of Shimizu- Wadati. Many important topics are not considered here, such as the periodic case for the Korteweg- de Vries equation, conservation lav/S, Hamiltonian formalisms, Bäcklund transforrnations, long-time asymptotic behavior of solutions , and perturbation theory.

L'interaction entre un rayonnement laser et un système atomique, peut conduire à différents processus physiques comme la photoionisation, l'ionisation multiphotonique, l'ionisation tunnel, génération d'harmoniques d'ordres élevés... L'importance de chacun de ces processus est en fait dépend de l'intensité et de la fréquence du champ laser considéré. Ce travail de thèse a porté sur la description de l'interaction d'un champ laser (Infrarouge et/ou Haute fréquence) avec un atome d'hydrogène (archétype d'un système à un électron actif). Nous avons tout d'abord développé les méthodes numériques pour la résolution de l'équation de Schrödinger dépendante du temps décrivant le système laser-atome d'hydrogène. Ces méthodes nous ont permis d'écrire un code numérique pour la simulation des solutions de cette équation. Nous les avons ensuite utilisées, après la vérification de la convergence de notre programme numérique pour présenter les résultats sur la photoionisation à un seul photon, sur l'ionisation multiphotonique et aussi sur un autre phénomène résultant du processus d'ionisation, il s'agit de l'absorption de photons au dessus du seuil d'ionisation, nommé processus ATI (Above Threshold Ionization). Ensuite, nous appliquerons ce code numérique à la photoionisation de l'atome d'hydrogène combinant deux photons, infrarouge (basse fréquence) et l'une de ses harmoniques (haute fréquence). Finalement, un calcul de la distribution angulaire des électrons émis a été effectué numériquement. / The interaction between laser radiation and atomic system, can lead to various physical processes such as photoionization, multiphoton ionization, tunneling ionization, High Order Harmonic Generation ... The importance of each of these processes is in fact dependent on the intensity and frequency of the laser field. In this thesis, we describe the interaction of a laser field (Infrared and / or high frequencie) with hydrogen (arche-type of a system with one active electron). We first developed numerical methods for solving the time-dependant Schrödinger equation of time describing the hydrogen atom laser system. These methods allowed us to write a numerical code for the simulation of solutions of this equation. We then used, after the verification of the numerical convergence of our program to present the results on the single-photon photoionization on multiphoton ionization. We also concentrate on another phenomenon resulting from the ionization process, it is absorption of photons above the ionization threshold, named process ATI (above threshold ionization). Then, we will apply this numerical code to the photoionization hydrogen combining two photons, infrared (low frequency) and one of its harmonics (high frequency). Finally, a calculation of the angular distribution of the emitted electron was carried out numerically.

A two-dimensional integrodi erential equation resulting from the use of potential harmonics expansion in the many-body Schr odinger equation is used to study ground-state properties of selected few-body nuclear systems. The equation takes into account twobody correlations in the system and is applicable to few- and many-body systems. The formulation of the equation involves the use of the Jacobi coordinates to de ne relevant global coordinates as well as the elimination of center-of-mass dependence. The form of the equation does not depend on the size of the system. Therefore, only the interaction potential is required as input. Di erent nucleon-nucleon potentials and hyperon-nucleon potentials are employed to construct the Hamiltonian of the systems. The results obtained are in good agreement with those obtained using other methods. / Physics / M.Sc. (Physics)