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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
61

Résonances de Ruelle à la limite semiclassique / Ruelle resonances in the semiclassical limit

Arnoldi, Jean-François 18 October 2012 (has links)
Depuis Ruelle, puis Rugh, Baladi, Tsujii, Liverani et d'autres, on sait que la fuite vers l'équilibre statistique dans de nombreux systèmes dynamiques chaotiques est gouvernée par le spectre de résonances de Ruelle de l'opérateur de transfert. A la suite de récents travaux de Faure, Sjöstrand et Roy, cette thèse propose une approche semiclassique de systèmes dynamiques chaotiques de type partiellement expansifs. Une partie du mémoire est consacrée aux extensions d'applications expansives vers des groupes de Lie compacts, en se reistreignant essentiellement aux extensions vers le groupe spécial unitaire SU(2). On se sert de la théorie des états cohérents pour les groupes de Lie, développée dans les années 70 par Perelomov et Gilmore, pour mettre en oeuvre les outils semiclassiques et la théorie des résonances de Helfer et Sjöstrand. On en déduira une estimation de Weyl et un gap spectral pour les résonances de Ruelle prouvant que la fuite vers l'équilibre statistique dans ces modèles est gouvernée par un opérateur de rang fini (en accord avec les résultats obtenus par Tsujii pour les semi-flots partiellement expansifs). On étend ensuite cette approche aux modèles "ouverts" pour lesquels la dynamique présente un ensemble captif de Cantor. On montrera l'existence d'un spectre discret de résonances de Ruelle et on prouve une loi de Weyl fractale, analogue classique du théorème de Lin-Guillopé-Zworski pour les résonances du laplacien hyperbolique sur les surfaces à courbure négative constante. On montre aussi un gap spectral asymptotique. On expliquera pourquoi ces modèles semblent être des objets d'étude adaptés pour approcher des questions importantes et difficiles du chaos classique ou quantique. On pense en particulier au problème de la minoration du nombre de résonances, étudié dans le contexte des applications quantiques par Nonnenmacher et Zworski. / Since the work of Ruelle, then Rugh, Baladi, Tsujii, Liverani and others, it is kown that the convergence towards statistical equilibrium in many chaotic dynamical systems is gouverned by the Ruelle spectrum of resonances of the so-called transfer operator. Following recent works from Faure, Sjöstrand and Roy, this thesis gives a semiclassical approach for partially expanding chaotic dynamical systems. The first part of the thesis is devoted to compact Lie groups extenstions of expanding maps, essentially restricting to SU(2) extensions. Using Perlomov's coherent state theory for Lie groups, we apply the semiclassical theory of resonances of Helfer and Sjöstrand. We deduce Weyl type estimations and a spectral gap for the Ruelle resonances, showing that the convergence towards equilibrium is controled by a finite rank operator (as Tsujii already showed for partially expanding semi-flows). We then extend this approach to "open" models, for which the dynamics exhibits a fractal invariant reppeler. We show the existence of a discrete spectrum of resonances and we prove a fractal Weyl law, the classical analogue of Lin-Guillopé-Zworski's theorem on resonances of non-compact hyperbolic surfaces. We also show an asymptotic spectral gap. Finally we breifly explain why these models are interseting "toy models" to explore important questions of classical and quantum chaos. In particular, we have in mind the problem of proving lower bounds on the number of resonances, studied in the context of open quantum maps by Nonnenmacher and Zworski.
62

Movimento quântico e semiclássico no campo de um magnético-solenóide / Quantum and semiclassical motion in magnetic-solenoid field

Damião Pedro Meira Filho 26 October 2010 (has links)
Um novo procedimento para construir os estados coerentes (CS) e os estados semiclássicos (SS) no campo de um magnético-solenóide é proposto. A idéia principal é baseada sobre o fato de que o AB solenóide quebra a simetria translacional no plano-xy, isto apresenta um efeito topológico tal que surgem dois tipos de trajetórias, aquelas que circundam e aquelas que não circundam o solenóide. Devido a este fato, deve-se construir dois tipos diferentes dos CS/SS, os quais correspondem as referidas trajetórias no limite semiclássico. Seguindo esta idéia, construímos os CS em duas etapas, primeiro os CS instantâneos (ICS) e os CS/SS dependentes do tempo como uma evolução dos ICS. A construção é realizada para partículas não-relativísticas e relativísticas, de spin-zero e com spin ambas em (2 + 1)- e (3 + 1)- dimensões e gera um exemplo não-trivial de SS/CS para sistemas com uma Hamiltoniana não-quadrática. É enfatizado que os CS dependendo dos seus parâmetros (números quânticos), descrevem ambos os estados puramente quânticos e semiclássicos. Uma análise é representada de modo que classifica os parâmetros dos CS em tal relação. Tal classificação é usada para as decomposições semiclásicas de diversas quantidades físicas. / A new approach to constructing coherent states (CS) and semiclassical states (SS) in magnetic-solenoid field is proposed. The main idea is based on the fact that the AB solenoid breaks the translational symmetry in the xy-plane, this has a topological effect such that there appear two types of trajectories which embrace and do not embrace the solenoid. Due to this fact, one has to construct two different kinds of CS/SS, which correspond to such trajectories in the semiclassical limit. Following this idea, we construct CS in two steps, first the instantaneous CS (ICS) and the time dependent CS/SS as an evolution of the ICS. The construction is realized for nonrelativistic and relativistic, spinning and spinless particles both in (2 + 1)- and (3 + 1)- dimensions and gives a non-trivial example of SS/CS for systems with a nonquadratic Hamiltonian. It is stressed that CS depending on their parameters (quantum numbers) describe both pure quantum and semiclassical states. An analysis is presented that classifies parameters of the CS in such respect. Such a classification is used for the semiclassical decompositions of various physical quantities.
63

Dissipação, termalização e descoerência via acoplamento caótico / Dissipation, thermalization and decoherence through chaotic coupling

Bonança, Marcus Vinicius Segantini, 1977- 06 August 2006 (has links)
Orientador: Marcus Aloizio Martinez de Aguiar / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-06T21:05:02Z (GMT). No. of bitstreams: 1 Bonanca_MarcusViniciusSegantini_D.pdf: 10284922 bytes, checksum: 28ea976c05e0eadcda732211e40afb25 (MD5) Previous issue date: 2006 / Resumo: Neste trabalho, estudamos de que maneira e sob que condições um sistema caótico com apenas dois graus de liberdade produz efeitos irreversíveis como dissipação, termalização e, do ponto de vista quântico, perda de coerência em um sistema simples a ele acoplado. Na formulação clássica do problema, descrevemos analiticamente o comportamento do fluxo de energia em Resposta Linear e apontamos o ingrediente talvez principal que um sistema caótico possui para causar irreversibilidade: correlações que decaem exponencialmente. Mostramos que é possível descrever o equilíbrio assintótico inclusive com uma temperatura, o que é não-intuitivo em se tratando de sistemas pequenos. Esse último resultado completa o paralelo entre o movimento Browniano usual e o modelo proposto. Formulamos o problema do ponto de vista quântico via o formalismo de Funcionais de Influência. Mostramos que este formalismo é mesmo adequado pois a influência do sistema caótico é descrita pelas contrapartidas quânticas das mesmas funções que encontramos na Resposta Linear clássica. Calculamos semiclassicamente essas funções e mostramos que os termos em mais baixa ordem da aproximação semiclássica evoluem conforme a dinâmica clássica caótica. As escalas de tempo da análise clássica se mostram fundamentais para a resolução dos cálculos assim como a análise semiclássica das funções de correlação. Mostramos que efeitos de dissipação e perda de coerência, no contexto quântico, são possíveis devido ao caráter caótico do sistema / Abstract: We study here how and under which conditions a chaotic system with only two degrees of freedom can produce irreversible phenomena such as dissipation, thermalization and, from the quantum point of view, decoherence in a simple system coupled to it. In the classical formulation of the problem, we describe analytically the behavior of the energy ux in Linear Response regime and we point the main ingredient for a chaotic system to produce irreversible effects: correlations with exponential decay. We show that it is possible to describe the asymptotic equilibrium even with a temperature, which seems to be a counter intuitive result for systems with few degrees of freedom. We formulate the problem from the quantum point of view using In uence Functionals approach. We show the formalism is very adequate since the chaotic system in uence is described by quantum analogues of the same functions we obtain in the Linear Response approach to the classical problem. We calculate those functions semiclassically and we show the lowest order terms of the semiclassical approximation evolve as given by classical chaotic dynamics. The time scales of the classical analysis are shown to be very important for the resolution of the quantum problem as well as the semiclassical analysis of the correlation functions. We show that dissipative and decoherence effects, in the quantum regime, are possible due to the chaotic dynamics of the system / Doutorado / Física Estatistica e Termodinamica / Doutor em Ciências
64

Variedades de Poisson e suas aplicações na descrição semiclássica de spin

Chauca, Genaro Pablo Zamudio 29 March 2012 (has links)
Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-05-29T14:01:29Z No. of bitstreams: 1 genaropablozamudiochauca.pdf: 295489 bytes, checksum: 18212d3cbd798de7a3d5a0a546393c3c (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-05-29T19:44:50Z (GMT) No. of bitstreams: 1 genaropablozamudiochauca.pdf: 295489 bytes, checksum: 18212d3cbd798de7a3d5a0a546393c3c (MD5) / Made available in DSpace on 2017-05-29T19:44:50Z (GMT). No. of bitstreams: 1 genaropablozamudiochauca.pdf: 295489 bytes, checksum: 18212d3cbd798de7a3d5a0a546393c3c (MD5) Previous issue date: 2012-03-29 / CNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico / Em este trabalho estudamos algumas estruturas matemáticas presentes no modelo semiclássico para o spin não relativístico proposto nas referências [5] e [6]. Obtemos as equações semiclássicas de movimento para o spin não relativístico aplicando o teorema de Ehrenfest à equação de Pauli. Olhando o spin S como um momento angular interno, identicamos ele como a aplicação de momento ligada à ação de Poisson de SO(3) sobre o espaço de fase interno R6. Para eliminar os graus de liberdade extras presentes no modelo restringimos a dinâmica a uma superfície de spin V3 impondo vínculos. Além disso, mostramos que a superfície de spin V3 tem estrutura de fibrado com base S2, fibra típica SO(2) e com aplicação de projeção S. Finalmente apresentamos a formulação do problema variacional para o modelo. / In this work we study some mathematical structures arising in a nonrelativistic spinningparticle model proposed in [5] and [6]. We obtain the semiclassical equations of motion from the Pauli equation via the Ehrenfest theorem. Looking for the spin S as an intrisic angular momentum, we identify it with the momentum map of the SO(3) Poisson action on the inner phase space R6. In order to eliminate the extra degrees of freedom, we impose some constraints which restrict the evolution of the system on the spin surface V3. We show that V3 is a fiber bundle with base S2, standard fiber SO(2) and projection S. Finally, we present the formulation of variational problem for the model.
65

O grupo de renormalização em modelos de gravitação

Teixeira, Poliane de Morais 17 February 2016 (has links)
Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-06-08T15:27:56Z No. of bitstreams: 1 polianedemoraisteixeira.pdf: 833138 bytes, checksum: 6826a43bfd3baaedb0691bb15c3c425e (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-06-26T19:06:07Z (GMT) No. of bitstreams: 1 polianedemoraisteixeira.pdf: 833138 bytes, checksum: 6826a43bfd3baaedb0691bb15c3c425e (MD5) / Made available in DSpace on 2017-06-26T19:06:07Z (GMT). No. of bitstreams: 1 polianedemoraisteixeira.pdf: 833138 bytes, checksum: 6826a43bfd3baaedb0691bb15c3c425e (MD5) Previous issue date: 2016-02-17 / Nessa tese, exploramos diferentes aspectos do grupo de renormalização (GR) em Gravitação Quântica. Especificamente, estudamos o GR aplicado a três diferentes modelos. Começamos por estudar o GR on-shell usando para isso o modelo de gravidade com torção proposto por Cartan, fizemos o tratamento quântico dessa teoria. Em seguida, mostramos em detalhes os cálculos do estudo da teoria semiclássica usando para isso o método da renormalização física, baseada na subtração de momentos. Nesta parte nós damos os detalhes da derivação dos fatores de forma gravitacionais, usando o método do heat kernel para três teorias massivas: campo escalar, campo vetorial e campo fermiônico. O que nos leva ao análogo gravitacional do teorema de desacoplamento de Appelquist e Carazzone. Nessa parte apenas refizemos os cálculos já desenvolvidos em um artigo de Gorbar e Shapiro, mas agora em detalhes minuciosos para cada etapa calculada. E na última parte, uma análise do grupo funcional de renormalização (GFR) foi feita, aplicando essa técnica também ao modelo de gravidade semiclássica, onde a teoria abordada foi a de um campo escalar com acoplamento não-mínimo no espaço-tempo curvo. / On this thesis, we explored differents aspects of the renormalization group (RG) in Quantum Gravity. Specifically, we studied the RG applied to three differents models. We began studying the RG on-shell and we used for that the model of gravity with torsion proposed by Cartan, we made the quantum treatment of this theory. Then, we showed in details the calculations of the study of semi-classical theory, using for that, the method of physical renormalization, based on the momentum subtraction. On this part, we gave the details of the derivation of gravitational form factors, using the method of the heat kernel for three massive theories: scalar field, vector field and fermionic field which leads us to the gravitational analogue of the decoupling theorem from Appelquist and Carazzone. In this part, we just remade the calculations already undertaken in a paper by Gorbar and Shapiro, but now in minute details for each step calculated. On the last part, an analysis of the functional renormalization group (FRG) was made, applying this technique also to the model of semiclassical gravity, where the theory addressed was a theory with a scalar field with non-minimal coupling in curved spacetime.
66

Schrödinger equations with an external magnetic field: Spectral problems and semiclassical states

Nys, Manon 11 September 2015 (has links)
In this thesis, we study Schrödinger equations with an external magnetic field. In the first part, we are interested in an eigenvalue problem. We work in an open, bounded and simply connected domain in dimension two. We consider a magnetic potential singular at one point in the domain, and related to the magnetic field being a multiple of a Dirac delta. Those two objects are related to the Bohm-Aharonov effect, in which a charged particle is influenced by the presence of the magnetic potential although it remains in a region where the magnetic field is zero. We consider the Schrödinger magnetic operator appearing in the Schrödinger equation in presence of an external magnetic field. We want to study the spectrum of this operator, and more particularly how it varies when the singular point moves in the domain. We prove some results of continuity and differentiability of the eigenvalues when the singular point moves in the domain or approaches its boundary. Finally, in case of half-integer circulation of the magnetic potential, we study some asymptotic behaviour of the eigenvalues close to their critical points. In the second part, we study nonlinear Schrödinger equations in a cylindrically setting. We are interested in the semiclassical limit of the equation. We prove the existence of a semiclassical solution concentrating on a circle. Moreover, the radius of that circle is determined by the electric potential, but also by the magnetic potential. This result is totally new with respect to the ones before, in which the concentration is driven only by the electric potential. / Doctorat en Sciences / info:eu-repo/semantics/nonPublished
67

Propriétés spectrales des opérateurs non-auto-adjoints aléatoires / Spectral properties of random non-self-adjoint operators

Vogel, Martin 10 September 2015 (has links)
Dans cette thèse, nous nous intéressons aux propriétés spectrales des opérateurs non-auto-adjoints aléatoires. Nous allons considérer principalement les cas des petites perturbations aléatoires de deux types des opérateurs non-auto-adjoints suivants :1. une classe d’opérateurs non-auto-adjoints h-différentiels Ph, introduite par M. Hager [32],dans la limite semiclassique (h→0); 2. des grandes matrices de Jordan quand la dimension devient grande (N→∞). Dans le premier cas nous considérons l’opérateur Ph soumis à de petites perturbations aléatoires. De plus, nous imposons que la constante de couplage δ vérifie e (-1/Ch) ≤ δ ⩽ h(k), pour certaines constantes C, k > 0 choisies assez grandes. Soit ∑ l’adhérence de l’image du symbole principal de Ph. De précédents résultats par M. Hager [32], W. Bordeaux-Montrieux [4] et J. Sjöstrand [67] montrent que, pour le même opérateur, si l’on choisit δ ⪢ e(-1/Ch), alors la distribution des valeurs propres est donnée par une loi de Weyl jusqu’à une distance ⪢ (-h ln δ h) 2/3 du bord de ∑. Nous étudions la mesure d’intensité à un et à deux points de la mesure de comptage aléatoire des valeurs propres de l’opérateur perturbé. En outre, nous démontrons des formules h-asymptotiques pour les densités par rapport à la mesure de Lebesgue de ces mesures qui décrivent le comportement d’un seul et de deux points du spectre dans ∑. En étudiant la densité de la mesure d’intensité à un point, nous prouvons qu’il y a une loi de Weyl à l’intérieur du pseudospectre,une zone d’accumulation des valeurs propres dûe à un effet tunnel près du bord du pseudospectre suivi par une zone où la densité décroît rapidement. En étudiant la densité de la mesure d’intensité à deux points, nous prouvons que deux valeurs propres sont répulsives à distance courte et indépendantes à grande distance à l’intérieur de ∑. Dans le deuxième cas, nous considérons des grands blocs de Jordan soumis à des petites perturbations aléatoires gaussiennes. Un résultat de E.B. Davies et M. Hager [16] montre que lorsque la dimension de la matrice devient grande, alors avec probabilité proche de 1, la plupart des valeurs propres sont proches d’un cercle. De plus, ils donnent une majoration logarithmique du nombre de valeurs propres à l’intérieur de ce cercle. Nous étudions la répartition moyenne des valeurs propres à l’intérieur de ce cercle et nous en donnons une description asymptotique précise. En outre, nous démontrons que le terme principal de la densité est donné par la densité par rapport à la mesure de Lebesgue de la forme volume induite par la métrique de Poincaré sur la disque D(0, 1). / In this thesis we are interested in the spectral properties of random non-self-adjoint operators. Weare going to consider primarily the case of small random perturbations of the following two types of operators: 1. a class of non-self-adjoint h-differential operators Ph, introduced by M. Hager [32], in the semiclassical limit (h→0); 2. large Jordan block matrices as the dimension of the matrix gets large (N→∞). In case 1 we are going to consider the operator Ph subject to small Gaussian random perturbations. We let the perturbation coupling constant δ be e (-1/Ch) ≤ δ ⩽ h(k), for constants C, k > 0 suitably large. Let ∑ be the closure of the range of the principal symbol. Previous results on the same model by M. Hager [32], W. Bordeaux-Montrieux [4] and J. Sjöstrand [67] show that if δ ⪢ e(-1/Ch) there is, with a probability close to 1, a Weyl law for the eigenvalues in the interior of the pseudospectrumup to a distance ⪢ (-h ln δ h) 2/3 to the boundary of ∑. We will study the one- and two-point intensity measure of the random point process of eigenvalues of the randomly perturbed operator and prove h-asymptotic formulae for the respective Lebesgue densities describing the one- and two-point behavior of the eigenvalues in ∑. Using the density of the one-point intensity measure, we will give a complete description of the average eigenvalue density in ∑ describing as well the behavior of the eigenvalues at the pseudospectral boundary. We will show that there are three distinct regions of different spectral behavior in ∑. The interior of the of the pseudospectrum is solely governed by a Weyl law, close to its boundary there is a strong spectral accumulation given by a tunneling effect followed by a region where the density decays rapidly. Using the h-asymptotic formula for density of the two-point intensity measure we will show that two eigenvalues of randomly perturbed operator in the interior of ∑ exhibit close range repulsion and long range decoupling. In case 2 we will consider large Jordan block matrices subject to small Gaussian random perturbations. A result by E.B. Davies and M. Hager [16] shows that as the dimension of the matrix gets large, with probability close to 1, most of the eigenvalues are close to a circle. They, however, only state a logarithmic upper bound on the number of eigenvalues in the interior of that circle. We study the expected eigenvalue density of the perturbed Jordan block in the interior of thatcircle and give a precise asymptotic description. Furthermore, we show that the leading contribution of the density is given by the Lebesgue density of the volume form induced by the Poincarémetric on the disc D(0, 1).
68

Étude mathématique et numérique des résonances dans une micro-cavité optique / Mathematical and numerical study of resonances in optical micro-cavities

Moitier, Zoïs 03 October 2019 (has links)
Cette thèse est consacrée à l'étude des fréquences de résonance de cavités optiques bidimensionnelles. Plus particulièrement, on s'intéresse aux résonances à modes de galerie (modes localisés au bord de la cavité avec un grand nombre d'oscillations). La première partie traite du calcul numérique des résonances par la méthode des éléments finis à l'aide de couches parfaitement adaptées, et d'une analyse de sensibilité des paramètres de celles-ci dans les trois situations suivantes : un problème unidimensionnel, une réduction du cas bidimensionnel invariant par rotation et le cas général. La deuxième partie porte sur la construction de développements asymptotiques des résonances à modes de galerie quand le nombre d'oscillations le long du bord tend vers l'infini. On considère d'abord le cas d'un problème invariant par rotation pour lequel le nombre d'oscillations s'interprète comme un paramètre semiclassique grâce à la transformée de Fourier angulaire. Ensuite, pour le cas général, la construction utilise un ansatz phase-amplitude de type BKW qui permet de se ramener à un opérateur de Schrödinger généralisé. Enfin, les résonances calculées numériquement dans la première partie sont comparées aux développements asymptotiques explicités par calcul formel. / This thesis is devoted to the study of resonance frequencies of bidimensional optical cavities. More specifically, we are interested in whispering-gallery modes (modes localized along the cavity boundary with a large number of oscillations). The first part deals with the numerical computation of resonances by the finite element method using perfectly matched layers, and with a sensibility analysis in the three following situations: an unidimensional problem, a reduction of the rotationally invariant bidimensional case, and the general case. The second part focuses on the construction of asymptotic expansions of whispering-gallery modes as the number of oscillations along of boundary goes to infinity. We start by considering the case of a rotationally invariant problem for which the number of oscillations can be interpreted as a semiclassical parameter by means of an angular Fourier transform. Next, for the general case, the construction uses a phase-amplitude ansatz of WKB type which leads to a generalized Schrödinger operator. Finally, the numerically computed resonances obtained in the first part are compared to the asymptotic expansions made explicit by the use of a computer algebra software.
69

Formules de Weyl par réduction de dimension : application à des Laplaciens électromagnétiques / Weyl formulae by reduction of dimension : application to electromagnetic Laplacians

Keraval, Pierig 20 December 2018 (has links)
La thèse consiste en l’étude spectrale d’opérateurs partiellement semi-classiques. Quand la géométrie du problème suggère une localisation anisotrope des fonctions propres associées aux basses énergies (bord du domaine, lieu d’annulation du champs magnétique), le développement local de l’opérateur amène naturellement à une structure à double échelle. Il s'agit, via un schéma de réduction "à la Born-Oppenheimer", utilisant le formalisme du calcul pseudodifférentiel pour des symboles à valeur opérateur, de montrer l’existence d’un opérateur effectif à symbole scalaire. On en déduit ensuite des formules de Weyl pour le comptage des basses valeurs propres. Cette stratégie est appliquée : au Laplacien de Robin sur un domaine borné, en dimension quelconque et au Laplacien magnétique dans R², dans le cas où le champ magnétique s’annule sur une courbe fermée. / The thesis consists in the spectral study of partially semiclassical operators. When the geometry of the problem suggests an anisotropic localization of the eigenfunctions associated to low energies (boundary of the domain, vanishing magnetic field), the local expansion of the operator naturally brings to a doublescale structure. Via a reduction scheme "à la Born-Oppenheimer", using the formalism of pseudodifferential calculus for operator-valued symbols, we can show the existence of an effective operator, with scalar symbol. Then, we deduce Weyl formulae for the number of low-lying eigenvalues. This strategy is applied : to the Robin Laplacian on a bounded domain, in any dimension and to the magnetic Laplacian in R², in the case where the magnetic field vanishes on a closed curve.
70

Geometric Integrators for Schrödinger Equations

Bader, Philipp Karl-Heinz 11 July 2014 (has links)
The celebrated Schrödinger equation is the key to understanding the dynamics of quantum mechanical particles and comes in a variety of forms. Its numerical solution poses numerous challenges, some of which are addressed in this work. Arguably the most important problem in quantum mechanics is the so-called harmonic oscillator due to its good approximation properties for trapping potentials. In Chapter 2, an algebraic correspondence-technique is introduced and applied to construct efficient splitting algorithms, based solely on fast Fourier transforms, which solve quadratic potentials in any number of dimensions exactly - including the important case of rotating particles and non-autonomous trappings after averaging by Magnus expansions. The results are shown to transfer smoothly to the Gross-Pitaevskii equation in Chapter 3. Additionally, the notion of modified nonlinear potentials is introduced and it is shown how to efficiently compute them using Fourier transforms. It is shown how to apply complex coefficient splittings to this nonlinear equation and numerical results corroborate the findings. In the semiclassical limit, the evolution operator becomes highly oscillatory and standard splitting methods suffer from exponentially increasing complexity when raising the order of the method. Algorithms with only quadratic order-dependence of the computational cost are found using the Zassenhaus algorithm. In contrast to classical splittings, special commutators are allowed to appear in the exponents. By construction, they are rapidly decreasing in size with the semiclassical parameter and can be exponentiated using only a few Lanczos iterations. For completeness, an alternative technique based on Hagedorn wavepackets is revisited and interpreted in the light of Magnus expansions and minor improvements are suggested. In the presence of explicit time-dependencies in the semiclassical Hamiltonian, the Zassenhaus algorithm requires a special initiation step. Distinguishing the case of smooth and fast frequencies, it is shown how to adapt the mechanism to obtain an efficiently computable decomposition of an effective Hamiltonian that has been obtained after Magnus expansion, without having to resolve the oscillations by taking a prohibitively small time-step. Chapter 5 considers the Schrödinger eigenvalue problem which can be formulated as an initial value problem after a Wick-rotating the Schrödinger equation to imaginary time. The elliptic nature of the evolution operator restricts standard splittings to low order, ¿ < 3, because of the unavoidable appearance of negative fractional timesteps that correspond to the ill-posed integration backwards in time. The inclusion of modified potentials lifts the order barrier up to ¿ < 5. Both restrictions can be circumvented using complex fractional time-steps with positive real part and sixthorder methods optimized for near-integrable Hamiltonians are presented. Conclusions and pointers to further research are detailed in Chapter 6, with a special focus on optimal quantum control. / Bader, PK. (2014). Geometric Integrators for Schrödinger Equations [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/38716 / TESIS / Premios Extraordinarios de tesis doctorales

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