We consider a quantum system whose unperturbed form consists of a self-adjoint Δ-operator on a 2-dimensional compact Riemannian manifold, which may or may not have a boundary. Then as a perturbation, we add a delta potential/point scatterer at some select point ρ. The perturbed self-adjoint operator is constructed rigorously by means of self-adjoint extension theory. We also consider a corresponding classical dynamical system on the cotangent/cosphere bundle, consisting of geodesic flow on the manifold, with specular reflection if there is a boundary. Chapter 2 describes the mathematics of the unperturbed and perturbed quantum systems, as well as outlining the classical dynamical system. Included in the discussion on the delta-perturbed quantum system is consideration concerning the strength of the delta potential. It is reckoned that the delta potential effectively has negative infinitesimal strength. Chapter 3 continues on with investigations from [KMW10], concerned with perturbed eigenfunctions that approximate to a linear combination of only two "surrounding" unperturbed eigenfunctions. In Thm. 4.4 of [KMW10], conditions are derived under which a sequence of perturbed eigenfunctions exhibits this behaviour in the limit. The approximating pair linear combinations belong to a class of quasimodes constructed within [KMW10]. The aim of Chapter 3 in this thesis is to improve on the result in [KMW10]. In Chapter 3, preliminary results are first derived constituting a broad consideration of the question of when a perturbed eigenfunction subsequence approaches linear combinations of only two surrounding unperturbed eigenfunctions. Afterwards, the central result of this Chapter, namely Thm. 3.4.1, is derived, which serves as an improved version of Thm. 4.4 in [KMW10]. The conditions of this theorem are shown to be weaker than those in [KMW10]. At the same time though, the conclusion does not require the approximating pair linear combinations to be quasimodes contained in the domain of the perturbed operator. Cor. 3.5.2 allows for a transparent comparison between the results of this Chapter and [KMW10]. Chapter 4 deals with the construction of non-singular rank-one perturbations for which the eigenvalues and eigenfunctions approximate those of the delta-perturbed operator. This is approached by means of direct analysis of the construction and formulae for the rank-one-perturbed eigenvalues and eigenfunctions, by comparison that of the delta-perturbed eigenvalues and eigenfunctions. Successful results are derived to this end, the central result being Thm. 4.4.19. This provides conditions on a sequence of non-singular rank-one perturbations, under which all eigenvalues and eigenbasis members within an interval converge to those of the delta-perturbed operator. Comparisons have also been drawn with previous literature such as [Zor80], [AK00] and [GN12]. These deal with rank-one perturbations approaching the delta potential within the setting of a whole Euclidean space Rⁿ, for example by strong resolvent convergence, and by limiting behaviour of generalised eigenfunctions associated with energies at every Eℓ(0,∞). Furthermore in Chapter 4, the suggestion from Chapter 2 that the delta potential has negative infinitessimal strength is further supported, due to the coefficients of the approximating rank-one perturbations being negative and tending to zero. This phenomenon is also in agreement with formulae from [Zor80], [AK00] and [GN12]. Chapter 5 first reviews the correspondence between certain classical dynamics and equidistribution in position space of almost all unperturbed quantum eigenfunctions, as demonstrated for example in [MR12]. Equidistribution in position space of almost all perturbed eigenfunctions, in the case of the 2D rectangular flat torus, is also reviewed. This result comes from [RU12], which is only stated in terms of the "new" perturbed eigenfunctions, which would only be a subset of the full perturbed eigenbasis. Nevertheless, in this Chapter it is explained how it follows that this position space equidistribution result also applies to a full-density subsequence of the full perturbed eigenbasis. Finally three methods of approach are discussed for attempting to derive this position space equidistribution result in the case of a more general delta-perturbed system whose classical dynamics satisfies the particular key property.

Orientador: Marcus Aloizio Martinez de Aguiar / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Física Gleb Wataghin / Made available in DSpace on 2018-08-22T04:47:13Z (GMT). No. of bitstreams: 1 Viscondi_ThiagodeFreitas_D.pdf: 5908171 bytes, checksum: 62e83e5e2d7f988db884e3964fd40971 (MD5) Previous issue date: 2013 / Resumo: A propagação semiclássica consiste na elaboração e aplicação de métodos para a resolução aproximada da equação de Schrödinger dependente do tempo, assumindo como hipótese que a ação clássica do sistema possui valor bastante superior à constante de Planck. Dentro deste contexto, o propagador quântico representa um elemento de interesse central, uma vez que esta grandeza corresponde à amplitude de probabilidade para a transição entre dois estados do sistema físico. Em um estágio preliminar de nosso trabalho, empregamos o conceito generalizado de estados coerentes para reformular o propagador quântico em termos de uma integral de caminho. Em seguida, com a utilização do método do ponto de sela, realizamos uma dedução detalhada para a aproximação semiclássica do propagador correspondente a uma ampla classe de grupos dinâmicos. A aplicação deste resultado formal está subordinada à resolução de equações clássicas de movimento sob condições de contorno, considerando um espaço de fase com dimensão duplicada. De maneira geral, a busca por trajetórias clássicas sujeitas a valores de contorno demonstra elevado custo computacional e complexidade técnica. Por esta razão, desenvolvemos três diferentes aproximações semiclássicas determinadas exclusivamente por condições iniciais. Em uma primeira situação, elaboramos um método de propagação constituído por uma integral sobre soluções clássicas no espaço de fase duplicado. No segundo caso, com a formulação do operador semiclássico de evolução temporal, eliminamos a necessidade pela duplicação dos graus de liberdade clássicos. A terceira abordagem, designada por propagador clássico corrigido, está definida pela contribuição de uma única trajetória. Com o propósito de avaliar a precisão e eficiência das expressões semiclássicas adquiridas, exemplificamos a aplicação destas ferramentas teóricas para os estados coerentes de SU(2) e SU(3). Por fim, apresentamos uma extensa discussão sobre as vantagens introduzidas pelo espaço de fase duplicado na implementação de uma aproximação semiclássica. Deste modo, verificamos que soluções clássicas tunelantes possuem uma importante participação na descrição precisa da penetração parcial de um pacote de onda em uma barreira de potencial finita. Além disto, mostramos que o fenômeno quântico de reflexão por um potencial atrativo está diretamente associado à ocorrência de trajetórias com comportamento não-clássico. / Abstract: The semiclassical propagation comprises the development and application of methods for obtaining approximate solutions to the time-dependent Schrödinger equation, assuming the hypothesis that the classical action of the system is much greater than the Planck constant. In this context, the quantum propagator represents an element of central interest, since this quantity corresponds to the probability amplitude for the transition between two states of thephysical system. In a preliminary stage of our work, we employ the generalized concept of coherent states to reformulate the quantum propagator in terms of a path integral. Then, with use of the saddlepoint method, we conduct a detailed derivation of the semiclassical approximation for the propagator corresponding to a wide class of dynamical groups. The application of this formal result depends on the resolution of classical equations of motion under boundary conditions, considering a phase space with doubled dimension. Generally, the search for classical trajectories subject to boundary values demonstrates high computational cost and technical complexity. For this reason, we have developed three distinct semiclassical approximations exclusively determined by initial conditions. In a first situation, we elaborate a propagation method composed of an integral over classical solutions in the doubled phase space. In the second case, with the formulation of the semiclassical time-evolution operator, we eliminate the need for the duplication of the classical degrees of freedom. The third approach, designated as corrected classical propagator, is defined by the contribution of a single trajectory. In order to evaluate the accuracy and efficiency of the obtained semiclassical expressions, we exemplify the application of these theoretical tools for the coherent states of SU(2) and SU(3). At last, we present an extensive discussion on the advantages introduced by the doubled phase space in implementing a semiclassical approximation. In this way, we find that tunneling classical solutions have an important participation in the accurate description of the partial penetration of a wave packet in a finite potential barrier. Furthermore, we show that the quantum phenomenon of reflection by an attractive potential is directly associated to the occurrence of trajectories with non-classical behavior. / Doutorado / Física / Doutor em Ciências

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第21550号 / 理博第4457号 / 新制||理||1640(附属図書館) / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)准教授 戸塚 圭介, 教授 川上 則雄, 教授 前野 悦輝 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DFAM

In der vorliegenden Arbeit werden Methoden aus der Theorie der dynamischen Systeme verwendet, um das qualitative Verhalten von Lösungen der semiklassischen Einsteingleichung für Friedmann-Lamaître-Robertson-Walker Raumzeiten zu untersuchen. Es werden ausschließlich masselose und konform gekoppelte Quantenfelder betrachtet. Bei der Renormierung des Energie-Impuls-Tensors solcher Quantenfelder treten Ambiguitäten auf, die sich als freie Parameter in der semiklassischen Einsteingleichung manifestieren. Mit Hilfe der Theorie der dynamischen Systeme ist es möglich, Lösungen nach ihren qualitativen Verhalten zu klassifizieren und dadurch Argumente für oder gegen bestimmte Werte der Renormierungskonstanten herauszuarbeiten. Befindet sich das Quantenfeld im konformen Vakuumzustand, erhält man ein zweidimensionales dynamisches System. Für dieses dynamische System werden die strukturell stabilen Fälle und Bifurkationsdiagramme herausgearbeitet, sowie das globale Stabilitätsverhalten der Minkowski und De-Sitter Gleichgewichtspunkte. Mittels dieser Analyse wird das qualitative Verhalten der semiklassischenLösungen mit dem qualitativen Verhalten der Lösungen des Lambda-CDM Modells der Kosmologie verglichen. Es zeigt sich, dass das semiklassische Modell in der Lage ist das qualitative Verhalten von Lösungen des klassischen Lambda-CDM Modells wiederzugeben. Weiterhin wird gezeigt, das im Vakuumfall Lösungen existieren, welche sich, im Gegensatz zu Lösungen des klassischen Lambda-CDM Modells, im Allgemeinen nicht eindeutig durch ihre Anfangsdaten bestimmen lassen. Um dieses atypische Verhalten aufzulösen müssen die Trajektorien dieser Lösungen in einem dreidimensionalen Phasenraum betrachtet werden.Das entsprechende dreidimensionale dynamische System beschreibt das dynamische Verhalten der Lösungen für beliebige Quantenzustände. Für allgemeine Quantenzustände wird die lokale (Lyapunov-) Stabilität der Gleichgewichtspunkte untersucht und für eine spezielle Wahl der Renormierungskonstanten und des Quantenzustandes neue Lösungen gefunden und mit Lösungen des klassischen Lambda-CDM Modells verglichen. Auch hier besteht eine qualitative Äquivalenz.

Cette thèse traite de plusieurs problèmes de théorie de la diffusion dans la limite semi-classique, c’est à dire des propriétés des fonctions propres généralisées d’un opérateur de Schrödinger à haute fréquence. Les fonctions propres généralisées d’un opérateur de Schrödinger sur l’espace euclidien, pour un potentiel lisse à support compact, peuvent toujours se décomposer comme la somme d’une partie entrante et d’une partie sortante, plus un terme négligeable à l’infini. La matrice de diffusion relie alors la partie entrante et la partie sortante de la fonction propre. Une première partie de ce travail concerne le spectre de la matrice de diffusion. On montre un résultat d’équidistribution des valeurs propres de la matrice de diffusion, sous l’hypothèse sans doute générique que les ensembles de points fixes de certaines applications définies à partir de la dynamique classique sont de mesure de Lebesgue nulle. Ce résultat était connu précédemment, sous l’hypothèse additionnelle que la dynamique classique est sans ensemble capté.Une seconde partie du travail concerne les ondes planes tordues, qui sont une famille particulière de fonctions propres généralisées d’un opérateur de Schrödinger, pouvant s'écrire comme la somme d'une onde plane et d'une partie purement sortante. Nous faisons l’hypothèse que la dynamique classique sous-jacente possède un ensemble capté hyperbolique, et qu’une certaine pression topologique est négative. Sous ces hypothèses, on obtient dans la limite semi-classique une description précise des ondes planes tordues comme une somme convergente d’états lagrangiens. On peut en particulier en déduire la mesure semi-classique associée aux ondes planes tordues. Si la variété est de courbure négative, et que le potentiel est nul, ces états lagrangiens sont associés à des lagrangiennes se projetant sans caustiques sur la variété de base. On peut alors en déduire des résultats sur les normes C^l et les ensembles nodaux des ondes planes tordues. Nous obtenons aussiune borne inférieure sur le nombre de domaine nodaux de la somme de deux ondes planes tordues de directions incidentes proches, pour une petite perturbation générique d’une métrique de courbure négative vérifiant la condition de pression topologique. / This thesis deals with several problems of scattering theory in the semi-classical limit, that is to say, with properties of the generalised eigenfunctions of a Schrödinger operator at high frequencies. The generalised eigenfunctions of a Schrödinger operator on the Euclidean space, with a compactly supported smooth potential, may always be written as the sum of an incoming wave and an outgoing wave, plus a term which is negligible at infinity. The scattering matrix relates the incoming part with the outgoing part. The first part of this work deals with the spectrum of the scattering matrix. We show an equidistribution result for the eigenvalues of the scattering matrix, under the hypothesis that the sets of fixed points of some maps defined from the classical dynamics has measure zero. This result was previously known under the additional assumption that the classical dynamics has an empty trapped set.A second part of this work deals with the distorted plane waves, which are a particular family of generalized eigenfunctions of a Schrödinger operator, which can be written as the sum of a plane wave and a purely outgoing part. We make the hypothesis that the underlying classical dynamics has a hyperbolic trapped set, and that a certain topological pressure is negative. Under these assumptions, we obtain in the semiclassical limit a precise description of distorted plane waves as a convergent sum of Lagrangian states. In particular, we can deduce from this the semiclassical measure associated to distorted plane waves. If we furthermore assume that the manifold has non-positive curvature, and that the potential is zero, these Lagrangian states project on the base manifold without caustics. We deduce from this results on the C^l norms and on the nodal sets of distorted plane waves. We also obtain a lower bound on the number of nodal domains of the sum of two distorted plane waves with close enough incoming directions , for a small generic perturbation of a metric of negative curvature satisfying the topological pressure assumption.

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第20880号 / 理博第4332号 / 新制||理||1622(附属図書館) / 京都大学大学院理学研究科数学・数理解析専攻 / (主査)教授 堤 誉志雄, 教授 上 正明, 教授 宍倉 光広 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DFAM

We study the unique phenomena which occur in certain systems characterized by the crossing or avoided crossing of two electronic eigenvalues. First, an example problem will be investigated for a given Hamiltonian resulting in a codimension 1 crossing by implementing results by Hagedorn from 1994. Then we perturb the Hamiltonian to study the system for the corresponding avoided crossing by implementing results by Hagedorn and Joye from 1998. The results from these demonstrate the behavior which occurs at a codimension 1 crossing and avoided crossing and illustrates the differences. These solutions may also be used in further studies with Herman-Kluk propagation and more. Secondly, we study codimension 2 crossings by considering a more general type of wave packet. We focus on the case of Schrödinger equation but our methods are general enough to be adapted to other systems with the geometric conditions therein. The motivation comes from the construction of surface hopping algorithms giving an approximation of the solution of a system of Schrödinger equations coupled by a potential admitting a conical intersection, in the spirit of Herman-Kluk approximation (in close relation with frozen/thawed approximations). Our main Theorem gives explicit transition formulas for the profiles when passing through a conical crossing point, including precise computation of the transformation of the phase and its proof is based on a normal form approach. / Doctor of Philosophy / We study energies of molecular systems in which special circumstances occur. In particular, when these energies intersect, or come close to intersecting. These phenomena give rise to unique physics which allows special reactions to occur and are thus of interest to study. We study one example of a more specific type of energy level crossing and avoided crossing, and then consider another type of crossing in a more general setting. We find solutions for these systems to draw our results from.

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Les opérateurs de Berezin--Toeplitz permettent de quantifier des fonctions, ou des symboles, sur des variétés kähleriennes compactes, et sont définies à partir du noyau de Bergman (ou de Szeg\H{o}). Nous étudions le spectre des opérateurs de Toeplitz dans un régime asymptotique qui correspond à une limite semiclassique. Cette étude est motivée par le comportement magnétique atypique observé dans certains cristaux à basse température. Nous étudions la concentration des fonctions propres des opérateurs de Toeplitz, dans des cas où les effets sous-principaux (du même ordre que le paramètre semiclassique) permet de différencier entre plusieurs configurations classiques, un effet connu en physique sous le nom de sélection quantique Nous exhibons un critère général pour la sélection quantique et nous donnons des développements asymptotiques précis de fonctions propres dans le cas Morse et Morse--Bott, ainsi que dans un cas dégénéré. Nous développons également un nouveau cadre pour le traitement du noyau de Bergman et des opérateurs de Toeplitz en régularité analytique. Nous démontrons que le noyau de Bergman admet un développement asymptotique, avec erreur exponentiellement petite, sur des variétés analytiques réelles. Nous obtenons aussi une précision exponentiellement fine dans les compositions et le spectre d'opérateurs à symbole analytique, et la décroissance exponentielle des fonctions propres. / Berezin-Toeplitz operators allow to quantize functions, or symbols, on compact Kähler manifolds, and are defined using the Bergman (or Szeg\H{o}) kernel. We study the spectrum of Toeplitz operators in an asymptotic regime which corresponds to a semiclassical limit. This study is motivated by the atypic magnetic behaviour observed in certain crystals at low temperature. We study the concentration of eigenfunctions of Toeplitz operators in cases where subprincipal effects (of same order as the semiclassical parameter) discriminate between different classical configurations, an effect known in physics as quantum selection . We show a general criterion for quantum selection and we give detailed eigenfunction expansions in the Morse and Morse-Bott case, as well as in a degenerate case. We also develop a new framework in order to treat Bergman kernels and Toeplitz operators with real-analytic regularity. We prove that the Bergman kernel admits an expansion with exponentially small error on real-analytic manifolds. We also obtain exponential accuracy in compositions and spectra of operators with analytic symbols, as well as exponential decay of eigenfunctions.