Search for dissertations about: "van der Waals interactions"
Showing result 1 - 5 of 86 swedish dissertations containing the words van der Waals interactions.
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1. van der Waals Density Functionals
Abstract : Methods using local or semi local approximations (LDA, GGA etc.) for the exchange-correlation energy in the density-functional theory (DFT) do not include van der Waals interactions. READ MORE
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2. Van der Waals Interactions in Density Functional Theory
Abstract : Density functional theory is a very important method for calculating ground-state properties for atoms, molecules and solids. Albeit exact in principle, its implementation requires an approximation for the so-called exchange-correlation energy. READ MORE
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3. Van der Waals density-functional description of polymers and other sparse materials
Abstract : Polymers are abundant in nature --- rubber, tar and latex have been known to mankind for thousands of years. Early in the 20th century, a systematic synthesis of polymers was developed, but the great potential of synthesized polymers was recognized first during World War II. READ MORE
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4. Van der Waals and Casimir interactions near metal films
Abstract : This thesis deals with van der Waals and Casimir forces near metal films. Thick, thin and strictly two-dimensional metal films will be investigated. For many applications one can model a double quantum-well structure with two strictly two-dimensional metallic sheets. READ MORE
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5. First-principles calculations of polymer interactions
Abstract : This thesis reports on studies of interactions in sparse matter by first-principles calculations, in particular polymeric systems. The focus is on the three unbranched simple polymers: polyethylene (PE), isotactic polypropylene (PP) and isotactic polyvinylchloride (PVC), which together represent an important class of materials that form complexes stabilized by weak but long-range dispersive interactions. READ MORE