Sökning: "density matrix methods"
Visar resultat 16 - 20 av 81 avhandlingar innehållade orden density matrix methods.
16. Theoretical and Computational Studies on the Physics of Applied Magnetism : Magnetocrystalline Anisotropy of Transition Metal Magnets and Magnetic Effects in Elastic Electron Scattering
Sammanfattning : In this thesis, two selected topics in magnetism are studied using theoretical modelling and computational methods. The first of these is the magnetocrystalline anisotropy energy (MAE) of transition metal based magnets. In particular, ways of finding 3d transition metal based materials with large MAE are considered. LÄS MER
17. Computational infrared spectroscopy : Calculation of the amide I absorption of proteins
Sammanfattning : Infrared spectroscopy is an important technique that allows to retrieve structural information from the analysis of absorption spectra. The main application of infrared spectroscopy within life science is the study of the amide I band, which is correlated with protein backbone conformation and, consequently, with the secondary structure of proteins. LÄS MER
18. On some Numerical Methods and Solution Techniques for Incompressible Flow Problems
Sammanfattning : The focus of this work is on numerical solution methods for solving the incompressible Navier-Stokes equations, which consist of a set of coupled nonlinear partial differential equations.In general, after linearization and finite element discretization in space, the original nonlinear problem is converted into finding the solutions of a sequence of linear systems of equations. LÄS MER
19. Robust preconditioning methods for algebraic problems, arising in multi-phase flow models
Sammanfattning : The aim of the project is to construct, analyse and implement fast and reliable numerical solution methods to simulate multi-phase flow, modeled by a coupled system consisting of the time-dependent Cahn-Hilliard and incompressible Navier-Stokes equations with variable viscosity and variable density. This thesis mainly discusses the efficient solution methods for the latter equations aiming at constructing preconditioners, which are numerically and computationally efficient, and robust with respect to various problem, discretization and method parameters. LÄS MER
20. Aspects of aetiology, pathoanatomy and diagnostic methods in chronic mid-portion achillodynia
Sammanfattning : The objectives of this thesis are to study aetiology and pathoanatomy, and to evaluate diagnostic methods in patients with long-standing pain and tenderness localised to the mid portion of the Achilles tendon. Treatment had failed to relieve symptoms prior to referral to our clinic, where some of these patients underwent surgical treatment. LÄS MER
