Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters
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Abstract
Absorption spectra for Cn clusters (n=2--8) are calculated using an adiabatic time-dependent density functional formalism within the local density approximation (TDLDA). We compare the calculated spectra with those computed using a simple local density approximation approach. It is readily observed that the TDLDA spectra display a significant blue shift with respect to the Kohn--Sham eigenvalue spectra. The calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations. We also obtain a significant threshold absorption, which can distinguish different ground states of the carbon clusters.
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BAI Yu-Lin, CHENG Xiao-Hong, CHENG Yan, CHEN Xiang-Rong, YANG Xiang-Dong. Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters[J]. Chin. Phys. Lett., 2004, 21(12): 2410-2413.
BAI Yu-Lin, CHENG Xiao-Hong, CHENG Yan, CHEN Xiang-Rong, YANG Xiang-Dong. Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters[J]. Chin. Phys. Lett., 2004, 21(12): 2410-2413.
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BAI Yu-Lin, CHENG Xiao-Hong, CHENG Yan, CHEN Xiang-Rong, YANG Xiang-Dong. Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters[J]. Chin. Phys. Lett., 2004, 21(12): 2410-2413.
BAI Yu-Lin, CHENG Xiao-Hong, CHENG Yan, CHEN Xiang-Rong, YANG Xiang-Dong. Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters[J]. Chin. Phys. Lett., 2004, 21(12): 2410-2413.
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