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Image: A model of the Atomic Structure of a Silicon Nanocrystal. <I>[See also, Excited Electron State of a Silicon Nanocrystal and Calculated Valence Electron Density of Silicon Nanocrystal.]</I><BR> <BR> This research was funded in part by National Science Foundation grants DMR 01-02668 and DMR 01-21361.<BR> <BR> <U><B>More about this Image</B></U><BR> We use computer programs based on concepts from quantum physics (ex., Jaguar, Gamess, Gaussian, Crystal) to calculate the most probable structure for a molecule or solid (a structure of atoms that continues in every direction in an infinitely repeating pattern). For example, this picture is our calculated model of a silicon nanocrystal which is composed of 29 silicon atoms (the orange spheres) and 24 hydrogen atoms (the white spheres). When we calculate the geometry of these molecules or solids, we also calculate the wavefunction, which is a complicated mathematical function that describes the states of every electron in the molecule. We use the wavefunction to calculate other properties of the molecule or solid. Thumbnail

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