A novel, structure-preserving, second-order-in-time relaxation scheme for Schrödinger-Poisson systems

The authors acknowledge the support from The Carnegie Trust Research Incentive Grant RIG008215 . I.K. would also like to acknowledge the support from London Mathematical Society through an Emmy Noether Fellowship . In addition, Th. K. and I.K. thank the Edinburgh Mathematical Society for the Covid Recovery Fund that allowed for the completion and the submission of this paper.We introduce a new structure preserving, second order in time relaxation-type scheme for approximating solutions of the Schrödinger-Poisson system. More specifically, we use the Crank-Nicolson scheme as a time stepping mechanism, whilst the nonlinearity is handled by means of a relaxation approach in the spirit of [10,11,34] for the nonlinear Schrödinger equation. For the spatial discretisation we use the standard conforming finite element scheme. The resulting scheme is explicit with respect to the nonlinearity, i.e. it requires the solution of a linear system for each time-step, and satisfies discrete versions of the system's mass conservation and energy balance laws for constant meshes. The scheme is seen to be second order in time. We conclude by presenting some numerical experiments, including an example from cosmology and an example with variable time-steps which demonstrate the effectiveness and robustness of the new scheme.Peer reviewe

Analysis of a splitting scheme for a class of nonlinear stochastic Schr\uf6dinger equations

We analyze the qualitative properties and the order of convergence of a splitting scheme for a class of nonlinear stochastic Schr\uf6dinger equations driven by additive It\uf4 noise. The class of nonlinearities of interest includes nonlocal interaction cubic nonlinearities. We show that the numerical solution is symplectic and preserves the expected mass for all times. On top of that, for the convergence analysis, some exponential moment bounds for the exact and numerical solutions are proved. This enables us to provide strong orders of convergence as well as orders of convergence in probability and almost surely. Finally, extensive numerical experiments illustrate the performance of the proposed numerical scheme

Quantum Mechanics of Semiconductor Quantum Dots and Rings

We consider the several phenomena which are taking place in Quantum Dots (QD) and Quantum Rings (QR): The connection of the Quantum Chaos (QC) with the reflection symmetry of the QD, Disappearance of the QC in the tunnel coupled chaotic QD, electron localization and transition between Double Concentric QR in the transverse magnetic field, transition of electron from QR to the QD located in the center of QR. Basis of this consideration is the effective Schr\"odinger equation for the corresponding systems.Comment: 32 pages, 26 figures; This paper is the basis of two talks of Sergei Matinyan presented at the workshop "Low Dimension Systems & Gauge principle" (Yerevan, Tbilisi, 2011

Magnus-based geometric integrators for dynamical systems with time-dependent potentials

[ES] Esta tesis trata sobre la integración numérica de sistemas hamiltonianos con potenciales explícitamente dependientes del tiempo. Los problemas de este tipo son comunes en la física matemática, porque provienen de la mecánica cuántica, clásica y celestial. La meta de la tesis es construir integradores para unos problemas relevantes no autónomos: la ecuación de Schrödinger, que es el fundamento de la mecánica cuántica; las ecuaciones de Hill y de onda, que describen sistemas oscilatorios; el problema de Kepler con la masa variante en el tiempo. El Capítulo 1 describe la motivación y los objetivos de la obra en el contexto histórico de la integración numérica. En el Capítulo 2 se introducen los conceptos esenciales y unas herramientas fundamentales utilizadas a lo largo de la tesis. El diseño de los integradores propuestos se basa en los métodos de composición y escisión y en el desarrollo de Magnus. En el Capítulo 3 se describe el primero. Su idea principal consta de una recombinación de unos integradores sencillos para obtener la solución del problema. El concepto importante de las condiciones de orden se describe en ese capítulo. En el Capítulo 4 se hace un resumen de las álgebras de Lie y del desarrollo de Magnus que son las herramientas algebraicas que permiten expresar la solución de ecuaciones diferenciales dependientes del tiempo. La ecuación lineal de Schrödinger con potencial dependiente del tiempo está examinada en el Capítulo 5. Dado su estructura particular, nuevos métodos casi sin conmutadores, basados en el desarrollo de Magnus, son construidos. Su eficiencia es demostrada en unos experimentos numéricos con el modelo de Walker-Preston de una molécula dentro de un campo electromagnético. En el Capítulo 6, se diseñan los métodos de Magnus-escisión para las ecuaciones de onda y de Hill. Su eficiencia está demostrada en los experimentos numéricos con varios sistemas oscilatorios: con la ecuación de Mathieu, la ec. de Hill matricial, las ecuaciones de onda y de Klein-Gordon-Fock. El Capítulo 7 explica cómo el enfoque algebraico y el desarrollo de Magnus pueden generalizarse a los problemas no lineales. El ejemplo utilizado es el problema de Kepler con masa decreciente. El Capítulo 8 concluye la tesis, reseña los resultados y traza las posibles direcciones de la investigación futura.[CA] Aquesta tesi tracta de la integració numèrica de sistemes hamiltonians amb potencials explícitament dependents del temps. Els problemes d'aquest tipus són comuns en la física matemàtica, perquè provenen de la mecànica quàntica, clàssica i celest. L'objectiu de la tesi és construir integradors per a uns problemes rellevants no autònoms: l'equació de Schrödinger, que és el fonament de la mecànica quàntica; les equacions de Hill i d'ona, que descriuen sistemes oscil·latoris; el problema de Kepler amb la massa variant en el temps. El Capítol 1 descriu la motivació i els objectius de l'obra en el context històric de la integració numèrica. En Capítol 2 s'introdueixen els conceptes essencials i unes ferramentes fonamentals utilitzades al llarg de la tesi. El disseny dels integradors proposats es basa en els mètodes de composició i escissió i en el desenvolupament de Magnus. En el Capítol 3, es descriu el primer. La seua idea principal consta d'una recombinació d'uns integradors senzills per a obtenir la solució del problema. El concepte important de les condicions d'orde es descriu en eixe capítol. El Capítol 4 fa un resum de les àlgebres de Lie i del desenvolupament de Magnus que són les ferramentes algebraiques que permeten expressar la solució d'equacions diferencials dependents del temps. L'equació lineal de Schrödinger amb potencial dependent del temps està examinada en el Capítol 5. Donat la seua estructura particular, nous mètodes quasi sense commutadors, basats en el desenvolupament de Magnus, són construïts. La seua eficiència és demostrada en uns experiments numèrics amb el model de Walker-Preston d'una molècula dins d'un camp electromagnètic. En el Capítol 6 es dissenyen els mètodes de Magnus-escissió per a les equacions d'onda i de Hill. El seu rendiment està demostrat en els experiments numèrics amb diversos sistemes oscil·latoris: amb l'equació de Mathieu, l'ec. de Hill matricial, les equacions d'onda i de Klein-Gordon-Fock. El Capítol 7 explica com l'enfocament algebraic i el desenvolupament de Magnus poden generalitzar-se als problemes no lineals. L'exemple utilitzat és el problema de Kepler amb massa decreixent. El Capítol 8 conclou la tesi, ressenya els resultats i traça les possibles direccions de la investigació futura.[EN] The present thesis addresses the numerical integration of Hamiltonian systems with explicitly time-dependent potentials. These problems are common in mathematical physics because they come from quantum, classical and celestial mechanics. The goal of the thesis is to construct integrators for several import ant non-autonomous problems: the Schrödinger equation, which is the cornerstone of quantum mechanics; the Hill and the wave equations, that describe oscillating systems; the Kepler problem with time-variant mass. Chapter 1 describes the motivation and the aims of the work in the historical context of numerical integration. In Chapter 2 essential concepts and some fundamental tools used throughout the thesis are introduced. The design of the proposed integrators is based on the composition and splitting methods and the Magnus expansion. In Chapter 3, the former is described. Their main idea is to recombine some simpler integrators to obtain the solution. The salient concept of order conditions is described in that chapter. Chapter 4 summarises Lie algebras and the Magnus expansion ¿ algebraic tools that help to express the solution of time-dependent differential equations. The linear Schrödinger equation with time-dependent potential is considered in Chapter 5. Given its particular structure, new, Magnus-based quasi-commutator-free integrators are build. Their efficiency is shown in numerical experiments with the Walker-Preston model of a molecule in an electromagnetic field. In Chapter 6, Magnus-splitting methods for the wave and the Hill equations are designed. Their performance is demonstrated in numerical experiments with various oscillatory systems: the Mathieu equation, the matrix Hill eq., the wave and the Klein-Gordon-Fock eq. Chapter 7 shows how the algebraic approach and the Magnus expansion can be generalised to non-linear problems. The example used is the Kepler problem with decreasing mass. The thesis is concluded by Chapter 8, in which the results are reviewed and possible directions of future work are outlined.Kopylov, N. (2019). Magnus-based geometric integrators for dynamical systems with time-dependent potentials [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/118798TESI

Composition Methods for Dynamical Systems Separable into Three Parts

New families of fourth-order composition methods for the numerical integration of initial value problems defined by ordinary differential equations are proposed. They are designed when the problem can be separated into three parts in such a way that each part is explicitly solvable. The methods are obtained by applying different optimization criteria and preserve geometric properties of the continuous problem by construction. Different numerical examples exhibit their improved performance with respect to previous splitting methods in the literature

Singularities and Quantum Gravity

Although there is general agreement that a removal of classical gravitational singularities is not only a crucial conceptual test of any approach to quantum gravity but also a prerequisite for any fundamental theory, the precise criteria for non-singular behavior are often unclear or controversial. Often, only special types of singularities such as the curvature singularities found in isotropic cosmological models are discussed and it is far from clear what this implies for the very general singularities that arise according to the singularity theorems of general relativity. In these lectures we present an overview of the current status of singularities in classical and quantum gravity, starting with a review and interpretation of the classical singularity theorems. This suggests possible routes for quantum gravity to evade the devastating conclusion of the theorems by different means, including modified dynamics or modified geometrical structures underlying quantum gravity. The latter is most clearly present in canonical quantizations which are discussed in more detail. Finally, the results are used to propose a general scheme of singularity removal, quantum hyperbolicity, to show cases where it is realized and to derive intuitive semiclassical pictures of cosmological bounces.Comment: 41 pages, lecture course at the XIIth Brazilian School on Cosmology and Gravitation, September 200