Search for dissertations about: "time-dependent Schrödinger equation"

Showing result 1 - 5 of 19 swedish dissertations containing the words time-dependent Schrödinger equation.

  2. 1. Absorbing boundary techniques for the time-dependent Schrödinger equation

    Author : Anna Nissen; Gunilla Kreiss; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

    Abstract : Chemical dissociation processes are important in quantum dynamics. Such processes can be investigated theoretically and numerically through the time-dependent Schrödinger equation, which gives a quantum mechanical description of molecular dynamics.This thesis discusses the numerical simulation of chemical reactions involving dissociation. READ MORE

  4. 2. Finite Difference Methods for Time-Dependent Wave Propagation Problems

    Author : Ylva Ljungberg Rydin; Ken Mattsson; Erik Sjöqvist; Magnus Svärd; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Finite differences; Wave propagation problems; Summation-by-parts; Simultaneous approximation term; High-order accuracy; Deforming domains; Point sources; Scientific Computing; Beräkningsvetenskap;

    Abstract : Wave propagation models are essential in many fields of physics, such as acoustics, electromagnetics, and quantum mechanics. Mathematically, waves can be described by partial differential equations (PDEs).  In most cases, exact solutions to wave-dominated PDEs are nearly impossible to derive. READ MORE

  5. 3. Propagation of singularities for pseudo-differential operators and generalized Schrödinger propagators

    Author : Karoline Johansson; Joachim Toft; Anders Olofsson; Linnéuniversitetet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Banach spaces; Fourier; Generalized time-dependent Schrödinger equation; Micro-local; Modulation spaces; Non-tangential convergence; Pseudo-differential operators; Regularity; Wave-front sets; Banachrum; Fourier; Generaliserad tidsberoende Schrödinger ekvation; Icke-tangentiell konvergens; Mikrolokal; Modulationsrum; Pseudodifferentialoperatorer; Regularitet; Vågfrontsmängder; Mathematical analysis; Analys; Mathematics; Matematik;

    Abstract : In this thesis we discuss different types of regularity for distributions which appear in the theory of pseudo-differential operators and partial differential equations. Partial differential equations often appear in science and technology. READ MORE

  6. 4. Numerical Methods for Wave Propagation : Analysis and Applications in Quantum Dynamics

    Author : Emil Kieri; Sverker Holmgren; Vasile Gradinaru; Hans O. Karlsson; Tobias Jahnke; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; computational wave propagation; quantum dynamics; time-dependent Schrödinger equation; spectral methods; Gaussian beams; splitting methods; low-rank approximation; Scientific Computing; Beräkningsvetenskap;

    Abstract : We study numerical methods for time-dependent partial differential equations describing wave propagation, primarily applied to problems in quantum dynamics governed by the time-dependent Schrödinger equation (TDSE). We consider both methods for spatial approximation and for time stepping. READ MORE

  7. 5. Efficient and Reliable Simulation of Quantum Molecular Dynamics

    Author : Katharina Kormann; Sverker Holmgren; Gunilla Kreiss; Hans O. Karlsson; Christian Lubich; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; time-dependent Schrödinger equation; quantum optimal control; exponential integrators; spectral elements; radial basis functions; global error control and adaptivity; high-performance computing implementation; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

    Abstract : The time-dependent Schrödinger equation (TDSE) models the quantum nature of molecular processes.  Numerical simulations based on the TDSE help in understanding and predicting the outcome of chemical reactions. READ MORE