Sökning: "density functional"
Visar resultat 21 - 25 av 959 avhandlingar innehållade orden density functional.
21. Functional Metallic Glasses
Sammanfattning : For decades, Metallic Glass, with its isotropic featureless structure while exhibiting outstanding mechanical properties was possible only at a high rate of quenching and with at least one dimension in the submicron regime. This limitation was overcome with the discovery of Bulk Metallic glasses, BMGs, containing three or more elements following the additional two empirical rules of optimum geometric size differences and negative energy of mixing among the constituent elements. LÄS MER
22. Interactions of molecules and solids within the density-functional theory
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23. Subsystem functionals in density functional theory
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24. Density functional theory for molecular properties
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25. Density functional theory applied to phosphorescence
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