Search for dissertations about: "functional correlation"
Showing result 1 - 5 of 454 swedish dissertations containing the words functional correlation.
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1. Nonlocal Correlations in Density Functional Theory
Abstract : In Density Functional Theory, the widely used local and semilocal approximations to the exchange-correlation energy, the local density approximation (LDA) and the generalized gradient approximations (GGAs), lack a physical description of truly nonlocal correlation effects, which are absolutely essential for a proper description of soft matter. A scheme is proposed that provides a basis for systematic improvements beyond LDA and GGA, including correlations at intermediate and long range, giving rise to bonds of pure van der Waals type as well as more intricate, intermediate-range correlation bonds. READ MORE
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2. Characterisation of Functional Pressing Die Surfaces
Abstract : The manufacture of dies and moulds is a critical aspect of many production systems since the manufacturing and try-out of new dies and moulds often is essential in determining the lead-time and quality of a new production system. In the automotive industry, many new car models are introduced each year and for each of these models, a new set of pressing dies has to be designed and manufactured. READ MORE
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3. Methods for Characterisation of Pressing Die Surfaces
Abstract : Design and manufacture of dies and moulds is a critical aspect of many production systems since the manufacturing and try-out of new dies and moulds often is essential in determining the lead-time and quality of a new production system. In the automotive industry, many new car models are introduced each year and for each of these models, a new set of pressing dies has to be designed and manufactured. READ MORE
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4. The many-electron energy in density functional theory : from exchange-correlation functional design to applied electronic structure calculations
Abstract : Att förutsäga egenskaper hos material och kemiska system är en viktig komponent för teoretisk och teknisk utveckling i fysik, kemi och biologi. Ett systems egenskaper styrs till stor del av dess elektrontillstånd. Datorprogram som baseras på täthetsfunktionalsteori kan beskriva elektronkonfigurationer mycket noggrant. READ MORE
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5. Electronic transitions and correlation effects : From pure elements to complex materials
Abstract : Macroscopic properties of real materials, such as conductivity, magneticproperties, crystal structure parameters, etc. are closely related or evendetermined by the configuration of their electrons, characterized by electronicstructure. By changing the conditions, e.g, pressure, temperature, magnetic/electric field, chemical doping, etc. READ MORE
