Twenty-odd years ago, scientists managed to produce several new techniques for manipulating certain properties of laser and microwave radiation. These new properties made it possible for the radiation to contain a lot more information than what was previously known. What they had discovered was that light could be twisted, thereby not only carrying polarization, also known as spin angular momentum (SAM) but also orbital angular momentum (OAM).Radar beams are used by scientists to probe the earth’s ionosphere. By measuring the echo of the radar waves one can deduce a lot of information, such as density and temperature of the plasma. In this thesis we will expand an existing program (iscatspb0.m) which computes the spectrum of plasma fluctuations as seen with an incoherent scatter radar, to having it incorporate radar beams carrying OAM, to see what new information of the plasma can be obtained.The three major findings in this thesis were what magnitude of the integer l is needed in order for the contribution of OAM to equal the contribution for the beam opening angle, how much the radar beam opening angle affected the measurements and in what way the spectrum obtained by a twisted beam is affected by different flows

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<div>The widely accepted Non-equilibrium Greens functions (NEGF) method and the Self-Consistent Born Approximation, to include scattering, is employed. Due to the large matrix sizes typically needed when solving Greens functions, an efficient recursive algorithm is typically utilized. However, the current state of the art of this so-called recursive Greens function algorithm only allows the inclusion of local scattering or non-locality within a limited range. Most scattering mechanisms are Coulombic and are therefore non-local. Recently, we have developed an addition to the recursive Greens function algorithm that can handle arbitrary non-locality. Validation and performance will be assessed for nanowires.</div><div><br></div><div>The second half of this work discusses the modeling of an active ingredient in a liquid environment. The state of the art is outlined with options for different modeling approaches - mainly the implicit and the explicit solvation model. Extensions of the explicit model to include an open, quantum environment is the main work of the second half. First results for an extension of the commonly used molecular dynamics with thermodynamic integration are also presented.</div>

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Made available in DSpace on 2014-10-09T12:38:44Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:00:08Z (GMT). No. of bitstreams: 1 06003.pdf: 11473213 bytes, checksum: 759e2030493408079cad31ae3d3dd261 (MD5) / Tese (Doutoramento) / IPEN/T / Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP