Hawking theorized in 1974 that black holes emit particles as a quantum effect. It follows from this fact that a black hole that emits particles while absorbing none ends up evaporating. The process of black hole evaporation studied from semiclassical gravity violates quantum mechanics leading to serious problems. This is the black hole information paradox, one of the most famous paradoxes in theoretical physics first pointed out by Hawking in 1975 and still unsolved today. Nowadays the widespread interpretation is that quantum mechanics cannot be violated and that the semiclassical gravity approach is not good enough. We need to go beyond semiclassical physics to understand this process. The paradox as originally stated by Hawking is that a pure state evolves into a mixed state, violating unitarity and losing information in the process. There is also an alternative way to state the paradox using the so-called Page curve, which involves working with entropies rather than states. In a unitary process, the entanglement entropy of the radiation will follow the Page curve. In 2019, it was shown explicitly using holographic tools that an evaporating black hole in an Anti-de Sitter spacetime follows the Page curve. Holography is a property of quantum gravity stating that a spatial region can be described by its area rather than its volume. These recent developments also involve the famous island rule as the formula that reproduces the Page curve. This master thesis reviews the current understanding of the paradox, exploring the original paradox as well as the recent developments in the field.

Dans ce travail de thèse , je présente comment extraire les géométries discrètes de l'espace-temps de la formulation covariante de la gravitaté quantique à boucles, qui est appelé le formalisme de la mousse de spin. LQG est une théorie quantique de la gravité qui non-perturbativement quantifie la relativité générale indépendante d'un fond fixe. Il prédit que la géométrie de l'espace est quantifiée, dans lequel l'aire et le volume ne peuvent prendre que la valeur discrète. L'espace de Hilbert cinématique est engendré par les fonctions du réseau de spin. L'excitation de la géométrie peut être parfaitement visualisée comme des polyèdres floue qui collées à travers leurs facettes. La mousse de spin définit la dynamique de la LQG par une amplitude de la mousse de spin sur un complexe cellulaire avec un état du réseau de spin comme la frontiére. Cette thèse présente deux résultats principaux. Premièrement, la limite semi-classique de l'amplitude de la mousse de spin sur un complexe simplicial arbitraire avec une frontière est complètement étudiée. La géométrie discrète classique de l'espace-temps est reconstruite et classée par les configurations critiques de l'amplitude de la mousse de spin. Deuxièmement, la fonction de trois-point de LQG est calculé. Il coïncide avec le résultat de la gravité discrète. Troisièmement, la description des géométries discrètes de hypersurfaces nulles est explorée dans le cadre de la LQG. En particulier, la géométrie nulle est décrit par une structure singulière euclidienne sur la surface de type espace à deux dimensions définie par un feuilletage de l'espace-temps par hypersurfaces nulles. / In this thesis, I will present how to extract discrete geometries of space-time fromthe covariant formulation of loop quantum gravity (LQG), which is called the spinfoam formalism. LQG is a quantum theory of gravity that non-perturbative quantizesgeneral relativity independent from a fix background. It predicts that the geometryof space is quantized, in which area and volume can only take discrete value. Thekinematical Hilbert space is spanned by Penrose's spin network functions. The excita-tion of geometry can be neatly visualized as fuzzy polyhedra that glued through theirfacets. The spin foam defines the dynamics of LQG by a spin foam amplitude on acellular complex, bounded by the spin network states. There are three main results inthis thesis. First, the semiclassical limit of the spin foam amplitude on an arbitrarysimplicial cellular complex with boundary is studied completely. The classical discretegeometry of space-time is reconstructed and classified by the critical configurations ofthe spin foam amplitude. Second, the three-point function from LQG is calculated.It coincides with the results from discrete gravity. Third, the description of discretegeometries of null hypersurfaces is explored in the context of LQG. In particular, thenull geometry is described by a Euclidean singular structure on the two-dimensionalspacelike surface defined by a foliation of space-time by null hypersurfaces. Its quan-tization is U(1) spin network states which are embedded nontrivially in the unitaryirreducible representations of the Lorentz group.

In dieser Dissertation untersuchen und entwickeln wir neue Methoden, die dabei helfen sollen eine effektive semiklassische Beschreibung der kanonischen Loop-Quantengravitation und der Spinfoam-Gravitation zu bestimmen. Einer kurzen Einführung in die Loop-Quantengravitation folgen drei Forschungsartikel, die die Resultate der Doktorarbeit präsentieren. Im ersten Artikel behandeln wir das Problem der Zeit und einen neuen Vorschlag zur Implementierung von Eigenzeit durch Randbedingungen an Pfadintegrale: wir untersuchen eine konkrete Realisierung dieses Formalismus für die freie Skalarfeldtheorie. Im zweiten Artikel übersetzen wir semiklassische Zustände der linearisierten Gravitation in Zustände der Loop-Quantengravitation. Deren Eigenschaften deuten an, wie sich Semiklassizität im Loop-Formalismus manifestiert, and wie man dies benützen könnte, um semiklassische Entwicklungen herzuleiten. Im dritten Teil schlagen wir eine neue Formulierung von Spinfoam-Modellen vor, die vollständig Triangulierungs- und Hintergrund-unabhängig ist: mit Hilfe einer Symmetrie-Bedingung identifizieren wir Spinfoam-Modelle, deren Triangulierungs-Abhängigkeit auf natürliche Weise entfernt werden kann. / In this Ph.D. thesis, we explore and develop new methods that should help in determining an effective semiclassical description of canonical loop quantum gravity and spin foam gravity. A brief introduction to loop quantum gravity is followed by three research papers that present the results of the Ph.D. project. In the first article, we deal with the problem of time and a new proposal for implementing proper time as boundary conditions in a sum over histories: we investigate a concrete realization of this formalism for free scalar field theory. In the second article, we translate semiclassical states of linearized gravity into states of loop quantum gravity. The properties of the latter indicate how semiclassicality manifests itself in the loop framework, and how this may be exploited for doing semiclassical expansions. In the third part, we propose a new formulation of spin foam models that is fully triangulation- and background-independent: by means of a symmetry condition, we identify spin foam models whose triangulation-dependence can be naturally removed.

Es werden spektrale Eigenschaften des zweidimensionalen Schrödinger-Operators mit einem zweifach periodischen Potential und starkem magnetischem Feld untersucht mit Hilfe semiklassischer Methoden. Man beschreibt die spektrale Asymptotik durch Benutzung der Reeb-Graph-Technik. Im Falle des rationalen Flusses konstruiert man semiklassische Magneto-Bloch-Funktionen und beschreibt die Asymptotik des Spektrums auf dem physikalischen Beweisniveau. / Spectral properties of the two-dimensional Schroedinger operator with a two-periodic potential and a strong uniform magnetic field is studied with the help of semiclassical methods. The spectral asymptotics is described using the Reeb graph technique. In the case of the rational flux one constructs semiclassical magneto-Bloch functions and describes the asymptotics of the band spectrum on the physical level of proof.

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.

La méthode de diffusion inverse est la plus efficace dans la théorie des systèmes intégrables. Introduite dans les années soixantes, d'importants résultats ont été obtenus pour les problèmes de dimension 1+1 et notamment sur l'interaction de solitons. Depuis quelques années, l'intérêt est porté sur des problèmes de dimensions supérieures comme les équations de Davey-Sterwartson, une généralisation de l'équation intégrable de Schrödinger cubique non linéaire en dimension 1+1. Des études numériques en limite semi-classique de l'équation de Davey-Stewartson II (DSII) défocalisant, font apparaître des points communs avec le cas réduit unidimensionnel, par exemple sur l'existence d'ondes de choc dispersives : des conditions initiales lisses mènent à une région d'oscillations rapides et modulées dans le voisinage des chocs des solutions des équations non dispersives dotées des mêmes conditions initiales.Cette thèse donne les premières étapes pour l'étude analytique de ce problème basée sur la méthode de la transformée de diffusion inverse. Les deux types de méthodes, directe et inverse, pour l'équation de DSII permettent de réécrire le problème sous la forme des équations D-bar. On considère la transformée spectrale directe pour l'équation DSII avec des conditions initiales lisses en limite semi-classique. La transformée spectrale directe mène à un système de Dirac elliptique singulièrement perturbé en deux dimensions. On introduit une méthode de type BKW pour ce problème et on montre qu'il est bien défini pour des paramètres spectraux k ∈ ℂ dont les modules sont suffisamment grands en controllant la solution d'une équation eikonale non linéaire. Aussi cette méthode donne des résultats numériques précis pour de tels k en limite semi-classique. Ces résultats reposent sur la solution numérique du système de Dirac singulièrement perturbé et la solution numérique du problème eikonal.On résout le problème eikonal de manière explicite pout tout k dans le cas d'un potentiel particulier. Ces calculs donnent une explication sur le fait que l'on ne puisse pas appliquer la méthode BKW pour des valeurs de |k| plus petites. On présente une nouvelle méthode numérique pour calculer la solution du problème eikonal avec des valeurs de |k| suffisamment grandes.Les calculs numériques de la transformée spectrale directe offrent une manière d'analyser le système de Dirac singulièrement perturbé pour des valeurs de |k| si petites qu'il n'y a pas de solution globale au problème eikonal. On donne une analyse semi-classique rigoureuse sur la solution pour des potentiels radiaux en k = 0, ce qui donne une expression asymptotique du coefficient de réflexion pour k = 0 et suggère une structure annulaire pour la solution, ce qui peut être utilisé quand |k| ≠ 0 est petit. L'étude numérique suggère aussi que pour certains potentiels, le coefficient de réflexion converge simplement, quand ε ↓ 0, vers une fonction limite définie pour des valeurs de k pour lesquelles le problème eikonal n'a pas de solution globale. On propose que les singularités de la fonction eikonale jouent un rôle aussi similaire que les points tournants de la théorie unidimensionelle. / Inverse scattering is the most powerful tool in theory of integrable systems. Starting in the late sixties resounding great progress was made in (1+1) dimensional problems with many break-through results as on soliton interactions. Naturally the attention in recent years turns towards higher dimensional problems as the Davey-Stewartson equations, an integrable generalisation of the (1+1)-dimensionalcubic nonlinear Schrödinger equation. The defocusing Davey-Stewartson II equation, in its semi-classical limit has been shown in numerical experiments to exhibit behavior that qualitatively resembles that of its one-dimensional reduction, namely the generation of a dispersive shock wave: smooth initial data develop a zone rapid modulated oscillations in the vicinity of shocks of solutions for the corresponding dispersionless equations for the same initial data. The present thesis provides a first step to study this problem analytically using the inverse scattering transform method. Both the direct and inverse scattering transform for DSII can be expressed as D-bar equations. We consider the direct spectral transform for the defocusing Davey-Stewartson II equation for smooth initial data in the semi-classical limit. The direct spectral transform involves a singularly perturbed elliptic Dirac system in two dimensions. We introduce a WKB-type method for this problem and prove that it is well defined for sufficiently large modulus of the spectral parameter k ∈ ℂ by controlling the solution of an associated nonlinear eikonal problem. Further, we give numerical evidence that the method is accurate for such k in the semiclassical limit. Producing this evidence requires both the numerical solution of the singularly perturbed Dirac system and the numerical solution of the eikonal problem. We present a new method for the numerical solution of the eikonal problem valid for sufficiently large |k|. For a particular potential we are able to solve the eikonal problem in a closed form for all k, acalculation that yields some insight into the failure of the WKB method for smaller values of |k|. The numerical calculations of the direct spectral transform indicate how to study the singularly perturbed Dirac system for values of |k| so small that there is no global solution of the eikonal problem. We provide a rigorous semiclassical analysis of the solution for real radial potentials at k=0, which yields an asymptotic formula for the reflection coefficient at k = 0 and suggests an annular structure for the solution that may be exploited when |k| ≠ 0 is small. The numerics also suggest that for some potentials the reflection coefficient converges point-wise as ε ↓ 0 to a limiting function that is supported in the domain of k-values on which the eikonal problem does not have a global solution. We suggest that singularities of the eikonal function play a role similar to that of turning points in the one-dimensional theory.

No description available.

A discrete analogue of the Witten Laplacian on the n-dimensional integer lattice is considered. After rescaling of the operator and the lattice size we analyze the tunnel effect between different wells, providing sharp asymptotics of the low-lying spectrum. Our proof, inspired by work of B. Helffer, M. Klein and F. Nier in continuous setting, is based on the construction of a discrete Witten complex and a semiclassical analysis of the corresponding discrete Witten Laplacian on 1-forms. The result can be reformulated in terms of metastable Markov processes on the lattice. / In dieser Arbeit wird auf dem n-dimensionalen Gitter der ganzen Zahlen ein Analogon des Witten-Laplace-Operatoren eingeführt. Nach geeigneter Skalierung des Gitters und des Operatoren analysieren wir den Tunneleffekt zwischen verschiedenen Potentialtöpfen und erhalten vollständige Aymptotiken für das tiefliegende Spektrum. Der Beweis (nach Methoden, die von B. Helffer, M. Klein und F. Nier im Falle des kontinuierlichen Witten-Laplace-Operatoren entwickelt wurden) basiert auf der Konstruktion eines diskreten Witten-Komplexes und der Analyse des zugehörigen Witten-Laplace-Operatoren auf 1-Formen. Das Resultat kann im Kontext von metastabilen Markov Prozessen auf dem Gitter reformuliert werden und ermöglicht scharfe Aussagen über metastabile Austrittszeiten.

No description available.

In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the thermalized reduced density matrix, a path-integral Monte Carlo method with a novel importance sampling approach is developed for excitons coupled to an arbitrary phonon bath at a finite temperature. In the second part of the thesis, simulations of molecular systems and applications to vibrational spectra are discussed. First, the quantum dynamics of a molecule is simulated by combining semiclassical initial value representation and density funcitonal theory with analytic derivatives. A computationally-tractable approximation to the sum-of-states formalism of Raman spectra is subsequently discussed.