Search for dissertations about: "local density approximation"
Showing result 11 - 15 of 59 swedish dissertations containing the words local density approximation.
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11. Density Functional Study of Elastic Properties of Metallic Alloys
Abstract : Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. The aim of the thesis is to study these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. READ MORE
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12. First-principles Studies of Local Structure Effects in Magnetic Materials
Abstract : This thesis focus on the magnetic behavior, from single atoms to bulk materials. The materials considered in this thesis have been studied by computational methods based on ab initio theory, density functional theory (DFT), including treatment of the spin-orbit coupling, non-collinear magnetism, and methods capable of treating discorded systems. READ MORE
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13. Density functional calculations of optical spectra and narrow band systems
Abstract : A calculational method, based on density functionaltheory, has been used to calculate optica spectra for a wide range of systems,as well as ground-state properties of some narrow-band systems. A systematic study of the trends in the optical properties of the 4Brefractory metal compounds has been performed. READ MORE
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14. Modelling District Heating Network Costs
Abstract : The solution of the undergoing climate and energy crises requires a radical transformation of the energy system, in which sustainability, no carbon emissions and energy efficiency ought to play a paramount role. This revolution should extend to all areas of the energy system, including the space heating and cooling sector, which accounts for a third of the European final energy demand and, in the European continent, it is still mostly supplied by fossil fuels. READ MORE
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15. On the Properties of Some Strongly Correlated Systems - Analytical and Numerical Studies
Abstract : This thesis is dedicated to analytical and numerical studiesof a few models of strongly correlated systems and thedevelopment of techniques for such studies. The common name"strongly correlated" refers to systems in which theinteractions (correlations) between the constituent particleslead to nontrivial properties, such as various types ofmagnetism, superconductivity, and exotic phases. READ MORE