Cette thèse avait comme but le développement, l'analyse et l'application de schémas numériques pour la simulation de modèles cinétiques basés sur l'équation de Vlasov, notamment de schémas basés sur le splitting de Strang et une méthode d'interpolation essentiellement non oscillatoire (WENO). Les schémas sont testés sur des cas test de plus en plus compliqués, et finalement sur un modèle Boltzmann-Schrödinger-Poisson qui décrit les états transitoires d'un transistor à l'echelle nanométrique.

Halo nuclei are among the strangest nuclear structures. They are viewed as a core containing most of the nucleons surrounded by one or two loosely bound nucleons. These have a high probability of presence at a large distance from the core. Therefore, they constitute a sort of halo surrounding the other nucleons. The core, remaining almost unperturbed by the presence of the halo is seen as a usual nucleus. <P> The Coulomb breakup reaction is one of the most useful tools to study these nuclei. It corresponds to the dissociation of the halo from the core during a collision with a heavy (high <I>Z</I>) target. In order to correctly extract information about the structure of these nuclei from experimental cross sections, an accurate theoretical description of this mechanism is necessary. <P> In this work, we present a theoretical method for studying the Coulomb breakup of one-nucleon halo nuclei. This method is based on a semiclassical approximation in which the projectile is assumed to follow a classical trajectory. In this approximation, the projectile is seen as evolving in a time-varying potential simulating its interaction with the target. This leads to the resolution of a time-dependent Schrödinger equation for the projectile wave function. <P> In our method, the halo nucleus is described with a two-body structure: a pointlike nucleon linked to a pointlike core. In the present state of our model, the interaction between the two clusters is modelled by a local potential. <P> The main idea of our method is to expand the projectile wave function on a three-dimensional spherical mesh. With this mesh, the representation of the time-dependent potential is fully diagonal. Furthermore, it leads to a simple representation of the Hamiltonian modelling the halo nucleus. This expansion is used to derive an accurate evolution algorithm. <P> With this method, we study the Coulomb breakup of three nuclei: ¹¹Be, ¹⁵C and ⁸B. ¹¹Be is the best known one-neutron halo nucleus. Its Coulomb breakup has been extensively studied both experimentally and theoretically. Nevertheless, some uncertainty remains about its structure. The good agreement between our calculations and recent experimental data suggests that it can be seen as a <I>s1/2</I> neutron loosely bound to a ¹⁰Be core in its 0⁺ ground state. However, the extraction of the corresponding spectroscopic factor have to wait for the publication of these data. <P> ¹⁵C is a candidate one-neutron halo nucleus whose Coulomb breakup has just been studied experimentally. The results of our model are in good agreement with the preliminary experimental data. It seems therefore that ¹⁵C can be seen as a ¹⁴C core in its 0⁺ ground state surrounded by a <I>s1/2</I> neutron. Our analysis suggests that the spectroscopic factor corresponding to this configuration should be slightly lower than unity. <P> We have also used our method to study the Coulomb breakup of the candidate one-proton halo nucleus ⁸B. Unfortunately, no quantitative agreement could be obtained between our results and the experimental data. This is mainly due to an inaccuracy in the treatment of the results of our calculations. Accordingly, no conclusion can be drawn about the pertinence of the two-body model of ⁸B before an accurate reanalysis of these results. <P> In the future, we plan to improve our method in two ways. The first concerns the modelling of the halo nuclei. It would be indeed of particular interest to test other models of halo nuclei than the simple two-body structure used up to now. The second is the extension of this semiclassical model to two-neutron halo nuclei. However, this cannot be achieved without improving significantly the time-evolution algorithm so as to reach affordable computational times.

The Feynman path integral formulation of quantum mechanics is a path integral representation for a propagator or probability amplitude in going between two points in space-time. The wave function is expressed in terms of an integral equation from which the Schrodinger equation can be derived. On taking the limit h — 0, the method of stationary phase can be applied and Newton's second law of motion is obtained. Also, the condition the phase vanishes leads to the Hamilton - Jacobi equation. The secondary objective of this paper is to study ways of relating quantum mechanics and classical mechanics. The Ehrenfest theorem is applied to a particle in an electromagnetic field. Expressions are found which are the hermitian Lorentz force operator, the hermitian torque operator, and the hermitian power operator.

Cette thèse est consacrée à l'étude de quelques régimes asymptotiques de l'équation de Schrödinger semi-classique, en présence d'une non-linéarité non-locale de type Hartree. Elle comporte 3 parties, sous forme de 4 chapitres et une annexe. L'objet de la première partie, constituée du premier et deuxième chapitre, est l'étude du comportement asymptotique du modèle précédent pour un noyau singulier autour de l'origine, pour une condition initiale asymptotiquement de type WKB, en régime faiblement non-linéaire. Dans le premier chapitre nous montrons que sous certaines conditions de régularité sur la condition initiale, la solution est encore de type WKB à l'ordre principal, un résultat que nous obtenons dans le cadre fonctionnel de l'algèbre de Wiener. Nous donnons une preuve alternative au résultat précédent dans le cas particulier de l'équation de Schrödinger-Poisson dans le cadre fonctionnel d'espace de Sobolev rescalé, où la considération de correcteurs est nécessaire pour construire une solution approchée et pouvoir décrire la solution à l'ordre principal. La deuxième partie de cette thèse, objet du troisième chapitre, est consacrée à l'étude de la propagation de paquets d'onde pour un système couplé d'équations de Hartree en régime semi-classique, en présence de potentiels extérieurs sous-quadratiques. Nous décrivons analytiquement et numériquement le comportement asymptotique à l'ordre principal des fonctions d'onde solution du système, lorsqu'elles sont soumises à une condition initiale en forme de paquets d'onde, pour différentes tailles de non-linéarité. La dernière partie est constituée du quatrième chapitre et de l'annexe. Dans le quatrième chapitre nous considérons le problème de Cauchy de l'équation de Hartree avec noyau homogène ou dont la transformée de Fourier est dans un espace de Lebesgue, dans le cadre fonctionnel de l'algèbre de Wiener. Nous montrons quelques résultats sur le caractère bien posé du problème pour les noyaux considérés, dans des espaces faisant intervenir l'algèbre de Wiener. Nous concluons par une annexe dans laquelle nous considérons le problème de Cauchy de l'équation de Schrödinger-Poisson, en présence d'un potentiel extérieur indépendant du temps, dans les espaces de Sobolev pondérés. Nous étendons des résultats déjà obtenus sur l'existence de solutions globales dans les espaces de Sobolev sans poids lorsque le potentiel extérieur est nul, en montrant l'existence de solutions globales en temps dans les espaces de Sobolev pondérés pour toute régularité. / This thesis is devoted to the study of some asymptotic regimes of the semi-classical Schrödinger equation, in the presence of a nonlocal nonlinearity of Hartree-type . The purpose of the first part, consisting of the first and second chapter is the study of the asymptotic behavior of the previous model with a singular kernel around the origin for an initial data asymptotically of WKB-type, in a weakly nonlinear regime. In the first chapter we show that under some regularity conditions on the initial data, the solution still is of WKB-type at leading order, a result that we get in the functional framework of the Wiener algebra . We give an alternative proof to the previous result in the particular case of the Schrödinger-Poisson equation in the functional framework of rescaled Sobolev space, where the consideration of correctors is necessary to construct an approximate solution to describe the solution at leading order.The second part of this thesis, the subject of the third chapter is devoted to the study the propagation of wave packets for a coupled system of Hartree equations in a semi-classical regime , in the presence of sub-quadratic external potentials. We describe analytically and numerically the asymptotic behavior of the leading order of the wave functions solution of the system, for an initial data in the form of wave packets for different sizes of nonlinearity.The final part consists of the fourth chapter and appendix.In the fourth chapter we consider the Cauchy problem of the Hartree equation with a homogeneous kernel or of Fourier transform in a Lebesgue space, in the functional framework of the Wiener algebra. We show some results on the well-posedness of the problem for the considered kernels, in spaces involving the Wiener algebra.We conclude with an appendix in which we consider the Cauchy problem for the Schrödinger-Poisson equation in the presence of a time independent external potential in the weighted Sobolev spaces. We extend the results already obtained on the existence of global solutions in Sobolev spaces without weight when the external potential is reduced to zero, by showing the existence of global solutions in time in the weighted Sobolev spaces for all regularity.

Introduzimos um método não-relativístico para estudar a espectroscopia de estados ligados hadrônicos compostos por quatro quarks charme, na figura de diquark-antidiquark. Resolvendo numericamente a equação de Schrödinger com dois potenciais diferentes inspirados no potencial de Cornell, de uma maneira semelhante aos modelos de quarkonium pesado para mésons, nós fatoramos o problema de 4 corpos em três sistemas de 2 corpos: primeiro o diquark e o antidiquark, que são compostos por dois quarks (antiquarks) em um estado de antitripleto de cor. No próximo passo eles são considerados como os blocos para construir o tetraquark, onde a sua interação leva a um singleto de cor. Termos dependentes de spin (spin-spin, spin-órbita e tensor) são usados para descrever o desdobramento do espectro e a separação entre estados com diferentes números quânticos. Atenção especial é dada à interação do tensor entre duas partículas de spin 1, com uma discussão detalhada da estratégia adotada. A interação spin-spin é tratada perturbativamente no primeiro modelo e incluída no potencial de ordem zero no segundo. A contribuição de cada termo de interação também é analisada e comparada. Dados experimentais recentes de estados bem estabelecidos de mésons de charmonium são utilizados para fixar os parâmetros de ambos os modelos (em um procedimento de ajuste minimizando chi quadrado), obtendo uma reprodução satisfatória do espectro do charmonium. As diferenças entre modelos são discutidas no contexto do charmonium, diquarks e tetraquarks. Nós concluímos que quase todas as ondas S e P (e as respectivas primeiras excitações radiais) do todo-charme tetraquark composto por diquarks de spin 1 estão entre 5.8 e 7 GeV, acima do limite de dissociação espontânea em pares de charmonium de baixa energia como dois eta_c ou J/psi, o que sugere que esses poderiam ser os canais ideais para procurar por esses estados, e desenvolver o atual conhecimento de estados multiquarks. / We introduce a non-relativistic framework to study the spectroscopy of hadronic bound states composed of four charm quarks in the diquark-antidiquark picture. By numerically solving the Schrödinger equation with two different Cornell-inspired potentials in a similar way of heavy quarkonium models of mesons, we factorize the 4-body problem into three 2-body systems: first the diquark and the antidiquark, which are composed of 2 quarks (antiquarks) into a color antitriplet state. In the next step they are considered as the tetraquark building blocks, where their interaction leads to a color singlet. Spin-dependent terms (spin-spin, spin-orbit and tensor) are used to describe the splitting structure of the spectrum and account for different quantum numbers of each state. Special attention is given to the tensor interaction between two particles of spin 1, with a detailed discussion of the adopted strategy. The spin-spin interaction is addressed perturbatively in the first model and included in the zeroth-order potential in the second one. The contribution of each interaction term is also analysed and compared. Recent experimental data of reasonably well-established charmonium mesons are used to fix the parameters of both models (with a fitting procedure minimizing chi square), obtaining a satisfactory reproduction of charmonium spectrum. The differences between models are discussed in the charmonium, diquark and tetraquark context. We conclude that almost all the S and P waves (and respective first radial excitations), of the all-charm tetraquark composed by spin 1 diquarks are in the range between 5.8 to 7 GeV, above the threshold of spontaneous decay in low-lying charmonium pairs, like two eta_c or J/psi, what suggests that this could be the ideal channels to look for these states, and develop the current understanding of multiquark states.

Thesis (B.S.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1978. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND ENGINEERING. / Bibliography: leaves 110-111. / B.S.

Wang, Yuqian. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2007. / Includes bibliographical references (leaves 36-39). / Abstracts in English and Chinese. / Abstract --- p.i / Acknowledgement --- p.ii / Chapter 1 --- Introduction --- p.1 / Chapter 2 --- Properties of approximate solutions --- p.6 / Chapter 3 --- Liapunov-Schmidt Reduction --- p.17 / Chapter 4 --- Critical point of the reduced energy functional --- p.28 / Bibliography --- p.36

The purpose of this thesis is to study the effects of gain and damping on a nonlinear waveguide array with a strong disorder that is driven in the first site, and try to find regimes which have stable stationary solutions. This has been done with a modified DNLS (Discrete nonlinear Schrödinger equation). Stable stationary solutions were mainly found when the damping was stronger than the gain, but some stable stationary regimes were also found when the gain was stronger than the damping.

Accurate numerical solution of time-dependent, high-dimensional partial differential equations (PDEs) usually requires efficient numerical techniques and massive-scale parallel computing. In this thesis, we implement and evaluate discretization schemes suited for PDEs of higher dimensionality, focusing on high order of accuracy and low computational cost. Spatial discretization is particularly challenging in higher dimensions. The memory requirements for uniform grids quickly grow out of reach even on large-scale parallel computers. We utilize high-order discretization schemes and implement adaptive mesh refinement on structured hyperrectangular domains in order to reduce the required number of grid points and computational work. We allow for anisotropic (non-uniform) refinement by recursive bisection and show how to construct, manage and load balance such grids efficiently. In our numerical examples, we use finite difference schemes to discretize the PDEs. In the adaptive case we show how a stable discretization can be constructed using SBP-SAT operators. However, our adaptive mesh framework is general and other methods of discretization are viable. For integration in time, we implement exponential integrators based on the Lanczos/Arnoldi iterative schemes for eigenvalue approximations. Using adaptive time stepping and a truncated Magnus expansion, we attain high levels of accuracy in the solution at low computational cost. We further investigate alternative implementations of the Lanczos algorithm with reduced communication costs. As an example application problem, we have considered the time-dependent Schrödinger equation (TDSE). We present solvers and results for the solution of the TDSE on equidistant as well as adaptively refined Cartesian grids. / eSSENCE

The investigation of the dynamics of chemical reactions, both from the theoretical and experimental side, has drawn an increasing interest since Ahmed H. Zewail was awarded the 1999 Nobel Prize in Chemistry for his work on femtochemistry. On the experimental side, new techniques such as femtosecond lasers and attosecond lasers enable laser control of chemical reactions. Numerical simulations serve as a valuable complement to experimental techniques, not only for validation of experimental results, but also for simulation of processes that cannot be investigated through experiments. With increasing computer capacity, more and more physical phenomena fall within the range of what is possible to simulate. Also, the development of new, efficient numerical methods further increases the possibilities. The focus of this thesis is twofold; numerical methods for chemical reactions including dissociative states and methods that can deal with coexistence of spatial regions with very different physical properties. Dissociative chemical reactions are reactions where molecules break up into smaller components. The dissociation can occur spontaneously, e.g. by radioactive decay, or be induced by adding energy to the system, e.g. in terms of a laser field. Quantities of interest can for instance be the reaction probabilities of possible chemical reactions. This thesis discusses a boundary treatment model based on the perfectly matched layer (PML) approach to accurately describe dynamics of chemical reactions including dissociative states. The limitations of the method are investigated and errors introduced by the PML are quantified. The ability of a numerical method to adapt to different scales is important in the study of more complex chemical systems. One application of interest is long-range molecules, where the atoms are affected by chemical attractive forces that lead to fast movement in the region where they are close to each other and exhibits a relative motion of the atoms that is very slow in the long-range region. A numerical method that allows for spatial adaptivity is presented, based on the summation-by-parts-simultaneous approximation term (SBP-SAT) methodology. The accuracy and the robustness of the numerical method are investigated. / eSSENCE