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• W2005861410 abstract "We studied the influence of oxygen and oxygen-related bonds on the structural, electronic, and optical properties of a prototypical silicon dot, the adamantanelike ${mathrm{Si}}_{10}{mathrm{H}}_{16}$ nanocrystal. The optical photoabsorption spectra have been calculated keeping into account both local field effects and the effects of pseudopotential nonlocality. While the effects of the latter show up essentially as a change of a few percent of the $f$-sum rule integral, the former are shown to modify substantially both the optical absorption edge and the size of its redshift as induced by oxidation of the nanocrystal. Exchange-correlation contributions have also been evaluated, within the adiabatic local density approximation." @default.
• W2005861410 created "2016-06-24" @default.
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• W2005861410 date "2005-07-21" @default.
• W2005861410 modified "2023-10-09" @default.
• W2005861410 title "Effects of local fields in time-dependent density functional theory shown in oxidized silicon clusters" @default.
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• W2005861410 doi "https://doi.org/10.1103/physrevb.72.045442" @default.
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