Sökning: "time-dependent Schrödinger equation"
Visar resultat 1 - 5 av 19 avhandlingar innehållade orden time-dependent Schrödinger equation.
1. Absorbing boundary techniques for the time-dependent Schrödinger equation
Sammanfattning : 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. LÄS MER
2. Finite Difference Methods for Time-Dependent Wave Propagation Problems
Sammanfattning : 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. LÄS MER
3. Propagation of singularities for pseudo-differential operators and generalized Schrödinger propagators
Sammanfattning : 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. LÄS MER
4. Numerical Methods for Wave Propagation : Analysis and Applications in Quantum Dynamics
Sammanfattning : 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. LÄS MER
5. Efficient and Reliable Simulation of Quantum Molecular Dynamics
Sammanfattning : 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. LÄS MER