The fully quantum mechanical 'direct-potential-fit' (DPF) method has become increasingly widely used in the reduction of diatomic spectra. The central problem of this method is the representation of the potential energy and Born-Oppenheimer breakdown (BOB) correction functions. There are a number of problems associated with the existing method and potential forms. This thesis delineates these problems and finds solutions to some of them. In particular, it is shown that use of a different expansion variable and a new treatment of some of the expansions resolves most of the problems. These techniques have been successfully tested on the ground electronic states of the coinage metal hydrides and the Rb2 molecule. To address the problem of representing 'barrier' potential curves, a flexible new functional form, the 'double-exponential long-range' (DELR) potential function, is introduced and applied to the B barrier state of Li2. In addition, the Lambda-doubling level splitting which occurs for singlet Pi electronic states has been taken into account by extending the effective Schrodinger equation. The computer program DSPotFit developed in our laboratory for performing DPF analyses has been extended to incorporate the ability to fit the analytical potential energy functions to tunneling predissociation line widths for quasibound levels. Finally, an attempt is made to investigate whether there exists a hump in the ground state rotationless potential curve of beryllium hydride.

Cette thèse concerne l'étude des propriétés linéaires des fibres optiques à bandes interdites photoniques et à coeur solide et l'utilisation de leurs caractéristiques singulières en optique non-linéaire guidée. La partie I est consacrée au calcul des bandes interdites photoniques que présente la gaine microstructurée. Nous avons mis en place un outil numérique de calcul de bandes par la méthode de décomposition en ondes planes en tenant compte de la dispersion des matériaux. Cet outil a été utilisé pour concevoir une fibre permettant la photo-inscription d'un réseau de Bragg. La méthode des perturbations stationnaires est ensuite appliquée pour déterminer les indices effectifs des modes autorisés aux grandes longueurs d'onde et identifier les modes linéairement polarisés vers lesquels ils évoluent. Dans la partie II, l'équation de Schrödinger non-linéaire généralisée est établie. Dans le cas d'une fibre effilée, il apparaît un terme supplémentaire permettant la conservation du nombre de photons. L'expression analytique usuelle du taux d'auto-décalage Raman est étendue au cas des solitons de courte durée jouant un rôle majeur dans le processus de génération de supercontinuum. La partie III est consacrée aux résultats obtenus en régime non-linéaire dans les fibres à bandes interdites photoniques à coeur solide. Nous montrons théoriquement que la forte valeur de la dispersion du troisième ordre est à l'origine de la suppression de l'auto-décalage Raman juste avant le bord de bande et sans pertes significatives. Cette suppression est ensuite utilisée pour limiter l'étendue spectrale et augmenter la stabilité tir-à-tir d'un supercontinuum.

There has been much work on electron emission. It has lead to the concept of the photon and new electron sources for imaging such as electron microscopes and the rst formulation of holographic reconstructions [1-6]. Analytical derivations are important to gain physical insight into the problem of developing better electron sources. However, to date, such formulations have su ered by a number of approximations that have masked important physics. In this thesis, a new approach is provided that solves the Schrodinger wave equation for photoemission from a single atom tungsten tip barrier or more generally, for photoemission from a Schottky triangular barrier potential, with or without image potential e ects. We describe the system, then introduce the mathematical derivation. We conclude with the applications of the theory.

There has been much work on electron emission. It has lead to the concept of the photon and new electron sources for imaging such as electron microscopes and the rst formulation of holographic reconstructions [1-6]. Analytical derivations are important to gain physical insight into the problem of developing better electron sources. However, to date, such formulations have su ered by a number of approximations that have masked important physics. In this thesis, a new approach is provided that solves the Schrodinger wave equation for photoemission from a single atom tungsten tip barrier or more generally, for photoemission from a Schottky triangular barrier potential, with or without image potential e ects. We describe the system, then introduce the mathematical derivation. We conclude with the applications of the theory.

abstract: Chapter 1 introduces some key elements of important topics such as; quantum mechanics, representation theory of the Lorentz and Poincare groups, and a review of some basic rela- ´ tivistic wave equations that will play an important role in the work to follow. In Chapter 2, a complex covariant form of the classical Maxwell’s equations in a moving medium or at rest is introduced. In addition, a compact, Lorentz invariant, form of the energy-momentum tensor is derived. In chapter 3, the concept of photon helicity is critically analyzed and its connection with the Pauli-Lubanski vector from the viewpoint of the complex electromag- ´ netic field, E+ iH. To this end, a complex covariant form of Maxwell’s equations is used. Chapter 4 analyzes basic relativistic wave equations for the classical fields, such as Dirac’s equation, Weyl’s two-component equation for massless neutrinos and the Proca, Maxwell and Fierz-Pauli equations, from the viewpoint of the Pauli-Lubanski vector and the Casimir ´ operators of the Poincare group. A connection between the spin of a particle/field and ´ consistency of the corresponding overdetermined system is emphasized in the massless case. Chapter 5 focuses on the so-called generalized quantum harmonic oscillator, which is a Schrodinger equation with a time-varying quadratic Hamiltonian operator. The time ¨ evolution of exact wave functions of the generalized harmonic oscillators is determined in terms of the solutions of certain Ermakov and Riccati-type systems. In addition, it is shown that the classical Arnold transform is naturally connected with Ehrenfest’s theorem for generalized harmonic oscillators. In Chapter 6, as an example of the usefulness of the methods introduced in Chapter 5 a model for the quantization of an electromagnetic field in a variable media is analyzed. The concept of quantization of an electromagnetic field in factorizable media is discussed via the Caldirola-Kanai Hamiltonian. A single mode of radiation for this model is used to find time-dependent photon amplitudes in relation to Fock states. A multi-parameter family of the squeezed states, photon statistics, and the uncertainty relation, are explicitly given in terms of the Ermakov-type system. / Dissertation/Thesis / Doctoral Dissertation Applied Mathematics 2016

Orientador: Marcos Tadeu de Oliveira Pimenta / Banca: Messias Meneguette Júnior / Banca: Edcarlos Domingos da Silva / Resumo: Neste trabalho teórico em Equações Diferenciais Parciais Elípticas, iremos apresentar uma abordagem diferente e mais geral na busca de solução positiva da equação de Schrödinger assintoticamente linear no infinito -Δ u +λ u = a(x)f(u) em R^N para N≥ 3 e λ > 0$. Métodos variacionais são usados para o estudo da existência das soluções fracas positivas sobre um apropriado subconjunto da variedade de Pohozaev associado ao problema, sob certas condições na não-linearidade / Abstract: In this theoretical work in Elliptic Partial Di erential Equation, we will present a di erent and more general approach in the search of positive solution of asymptotically linear Schrödinger equation −∆u + λu = a(x)f(u) in R N, for N ≥ 3 and λ > 0. Variational methods are used to study the existence of the weak positive solutions on an appropriate subset of Pohozaev manifold associated with the problem, under certain assumptions on the nonlinearty. Keywords: Asymptotically linear; Pohozaev identity; Concentration compactness; Cerami sequence; Baricenter / Mestre

Orientador: Jaime Angulo Pava / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Cientifica / Made available in DSpace on 2018-08-09T17:33:49Z (GMT). No. of bitstreams: 1 Ferreira_AdemirPastor_D.pdf: 1039193 bytes, checksum: b5af71af1666ffb5c2e05c4612b6973c (MD5) Previous issue date: 2007 / Resumo: Nesta tese, estudamos o seguinte sistema não-linear de equações do tipo Schrodinger ... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo na tese digital / Abstract: In this thesis we study the following nonlinear Schrodinger type system ... Note: The complete abstract in available with the full electronic digital thesis or dissertations / Doutorado / Doutor em Matemática

Orientador: Stefano de Leo / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Científica / Made available in DSpace on 2018-08-15T11:34:18Z (GMT). No. of bitstreams: 1 Silva_KeniaCristinaPereira_M.pdf: 5917573 bytes, checksum: 689b0e6d7c10b6ea1e4524486138cc7e (MD5) Previous issue date: 2010 / Resumo: O objetivo principal deste trabalho é estudar a equação de Schrödinger para um potencial quaterniônico tipo barreira. A solução analítica encontrada permite comparar qualitativamente as diferenças entre a mecânica quântica complexa e a mecânica quântica quaterniônica. Antes de apresentar a solução analítica da barreira, para um melhor entendimento da motivação que leva ao estudo de uma mecânica quântica quaterniônica, será analisado em detalhes (ondas planas e pacotes de onda) o potencial tipo degrau / Abstract: The main objective of this research is to study the Schrödinger equation for a quaternionic potential barrier. The analytical solution found allow us to compare qualitatively the differences between the complex quantum mechanics and the quaternionic quantum mechanics. Before presenting the barrier analytical solution, to a better understanding of the motivation that leads us to the study of quaternionic quantum mechanics, the potencial step will be discussed in detail (plane waves and wave packets) / Mestrado / Fisica-Matematica / Mestre em Matemática Aplicada

Orientador: Francisco Odair Vieira de Paiva, Aloisio Freiria Neves / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Matemática, Estatística e Computação Científica / Made available in DSpace on 2018-08-08T02:49:07Z (GMT). No. of bitstreams: 1 Malavazi_MazilioCoronel_M.pdf: 786706 bytes, checksum: 9e4d9aae3bd0fdd46d7adf64ce8958ef (MD5) Previous issue date: 2007 / Resumo: Nesta dissertação obtemos resultados de multiplicidade de soluções fracas não triviais para o problema -Du + V (x)u = f (x; u); x 2 RN; onde V é contínua, f é C1, com f (x; 0) = 0 e f é assintoticamente linear. Utilizamos métodos variacionais e a teoria de grupos críticos, para obtermos e distinguirmos as soluções. Apresentamos também resultados de existência de solução não trivial para o problema -Du + V (x)u = f (u); x 2 RN; onde V e f são funções contínuas. Utilizamos as técnicas de concentração de compacidade e de aproximação do domínio por subconjuntos limitados, para obtermos a solução / Abstract: In this dissertation we get resulted of multiplicity of not trivial weak solutions for the problem -Du + V (x)u = f (x; u); x 2 RN; where V is continuous, f is C1, with f (x; 0) = 0 and f is asymptotically linear. We use variationals methods and the theory of critical groups, to get and to distinguish the solutions. We also present results of existence of not trivial solution for the problem -Du + V (x)u = f (u); x 2 RN; where V and f are continuous functions. We use the techniques of concentration of compactness and approximation of the domain for bounded subsets, to get the solution / Mestrado / Mestre em Matemática

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