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In this paper we examine the effectiveness of reducing the second order radial equation, of the hyperspherical coordinate solution to the two-electron Schrodinger equation, into a set of coupled first order linear equations as suggested by Klar. All results have been obtained in a completely nonadiabatic formalism thereby ensuring accuracy. We arrive at the conclusion that our application of the reduction process is in some way inconsistent and suggest a possible resolution to this anomaly.

The cubic focusing nonlinear Schrodinger equation is a canonical model equation that arises in physics and engineering, particularly in nonlinear optics and plasma physics. Cubic NLS is an accessible venue to refine techniques for more general nonlinear partial differential equations. In this thesis, it is shown there exist solutions to the focusing cubic nonlinear Schrodinger equation in three dimensions that blowup on a circle, in the sense of L2-norm concentration on a ring, bounded H1-norm outside any surrounding toroid, and growth of the global H1-norm with the log-log rate. Analogous behaviour occurs in higher dimensions. That is, there exists data for which the corresponding evolution by the cubic nonlinear Schrodinger equation explodes on a set of co-dimension two. To simplify the exposition, the proof is presented in dimension three, with remarks to indicate the adaptations in higher dimension.

The cubic focusing nonlinear Schrodinger equation is a canonical model equation that arises in physics and engineering, particularly in nonlinear optics and plasma physics. Cubic NLS is an accessible venue to refine techniques for more general nonlinear partial differential equations. In this thesis, it is shown there exist solutions to the focusing cubic nonlinear Schrodinger equation in three dimensions that blowup on a circle, in the sense of L2-norm concentration on a ring, bounded H1-norm outside any surrounding toroid, and growth of the global H1-norm with the log-log rate. Analogous behaviour occurs in higher dimensions. That is, there exists data for which the corresponding evolution by the cubic nonlinear Schrodinger equation explodes on a set of co-dimension two. To simplify the exposition, the proof is presented in dimension three, with remarks to indicate the adaptations in higher dimension.

In fiber optic communication systems, the main linear phenomenon that causes optical pulse broadening is called dispersion, which limits the transmission data rate and distance. The principle nonlinear effect, called self-phase modulation, can also limit the system performance by causing spectral broadening. Hence, to achieve the optimal system performance, high data rate and low bandwidth occupancy, those effects must be overcome or compensated. In a nonlinear dispersive fiber, properties of a transmitting pulse: width, chirp, and spectra, are changed along the way and are complicated to predict. Although there is a well-known differential equation, called the Nonlinear Schrodinger Equation, which describes the complex envelope of the optical pulse subject to the nonlinear and dispersion effects, the equation cannot generally be solved in closed form. Although, the split-step Fourier method can be used to numerically determine pulse properties from this nonlinear equation, numerical results are time consuming to obtain and provide limited insight into functional relationships and how to design input pulses. One technique, called the Variational Method, is an approximate but accurate way to solve the nonlinear Schrodinger equation in closed form. This method is exploited throughout this thesis to study the pulse properties in a nonlinear dispersive fiber, and to explore ways to compensate dispersion for both single link and concatenated link systems. In a single link system, dispersion compensation can be achieved by appropriately pre-chirping the input pulse. In this thesis, the variational method is then used to calculate the optimal values of pre-chirping, in which: (i) the initial pulse and spectral width are restored at the output, (ii) output pulse width is minimized, (iii) the output pulse is transform limited, and (iv) the output time-bandwidth product is minimized. For a concatenated link system, the variational calculation is used to (i) show the symmetry of pulse width around the chirp-free point in the plot of pulse width versus distance, (ii) find the optimal dispersion constant of the dispersion compensation fiber in the nonlinear dispersive regime, and (iii) suggest the dispersion maps for two and four link systems in which initial conditions (or parameters) are restored at the output end. The accuracy of the variational approximation is confirmed by split-step Fourier simulation throughout this thesis. In addition, the comparisons show that the accuracy of the variational method improves as the nonlinear effects become small. / Master of Science

For certain initial data, we solve the Novikov-Veselov equation by the inverse scat- tering method. This is a (2+1)-dimensional completely integrable system that gen- eralizes the (1+1)-dimensional Korteweg-de-Vries equation. The method used is the inverse scattering method. To study the direct and inverse scattering maps, we prove existence and uniqueness properties of exponentially growing solutions of the two- dimensional Schrodinger equation. For conductivity-type potentials, this was done by Nachman in his work on the inverse conductivity problem. Our work expands the set of potentials for which the analysis holds, completes the study of the inverse scattering map, and show that the inverse scattering method yields global in time solutions to the Novikov-Veselov equation. This is the first proof that the inverse scattering method yields classical solutions to the Novikov-Veselov equation for the class of potentials considered here.

PT-symmetric Hamiltonians proposed by Bender and Boettcher can have real energy spectra. As an extension of the Hermitian Hamiltonian, PT-symmetric systems have attracted a great interest in recent years. Understanding the underlying mathematical structure of these theories sheds insight on outstanding problems of physics. These problems include the nature of Higgs particles, the properties of dark matter, the matter-antimatter asymmetry in the universe, and neutrino oscillations. Furthermore, PT-phase transition has been observed in lasers, optical waveguides, microwave cavities, superconducting wires and circuits. The objective of this thesis is to extend the iterative method of solving Schrodinger equation used for an harmonic oscillator systems to Hamiltonians with PT-symmetric potentials. An important aspect of this approach is the high accuracy of eigenvalues and the fast convergence. Our method is a combination of Hill determinant method [8] and the power series expansion. eigenvalues and the fast convergence. One can transform the Schrodinger equation into a secular equation by using a trial wave function. A recursion structure can be obtained using the secular equation, which leads to accurate eigenvalues. Energy values approach to exact ones when the number of iterations is increased. We obtained eigenvalues for a set of PT-symmetric Hamiltonians.

published_or_final_version / Physics / Master / Master of Philosophy

In the first part of this thesis, we demonstrate theory and computations for finite-energy line defect solutions in an improvement of Ericksen-Leslie liquid crystal theory. Planar director fields are considered in two and three space dimensions, and we demonstrate straight as well as loop disclination solutions. The possibility of static balance of forces in the presence of a disclination and in the absence of ow and body forces is discussed. The work exploits an implicit conceptual connection between the Weingarten-Volterra characterization of possible jumps in certain potential fields and the Stokes-Helmholtz resolution of vector fields. The theoretical basis of our work is compared and contrasted with the theory of Volterra disclinations in elasticity. Physical reasoning precluding a gauge-invariant structure for the model is also presented. In part II of the thesis, the time-harmonic Schrodinger equation with periodic potential is considered. We derive the asymptotic form of the scattering wave function in the periodic space and investigate the possibility of its application as a DtN non-reflecting boundary condition. Moreover, we study the perfectly matched layer method for this problem and show that it is a reliable method, which converges rapidly to the exact solution, as the thickness of the absorbing layer increases. Moreover, we use the tight-binding method to numerically solve the Schrodinger equation for Graphene sheets, symmetry-adapted Carbon nanotubes and DNA molecules to demonstrate their electronic behavior in the presence of local defects. The results for Y-junction Carbon nanotubes depict very interesting properties and confirms the predictions for their application as new transistors.

Orientador: Alexys Bruno Alfonso / Banca: Edmundo Capelas de Oliveira / Banca: Julio Ricardo Sambrano / Banca: Denis Rafael Nacbar / Banca: Augusto Batagin Neto / Resumo: 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. ... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: 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 int... (Complete abstract click electronic access below) / Doutor