Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters
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Abstract
Polarizabilities of small Sn (n=2--8) clusters are calculated by using the higher-order finite- difference pseudopotential density functional method in real space. We find that the polarizabilities of the clusters are considered to be higher than the value estimated from the ``hard sphere'' model using the bulk static dielectric constant. The computed polarizabilities per atom tend to decrease with the increasing cluster size. The polarizabilities are closely related to the HOMO-LUMO gaps and the geometrical configurations.
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BAI Yu-Lin, CHEN Xiang-Rong, CHENG Xiao-Hong, YANG Xiang-Dong. Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters[J]. Chin. Phys. Lett., 2005, 22(11): 2795-2797.
BAI Yu-Lin, CHEN Xiang-Rong, CHENG Xiao-Hong, YANG Xiang-Dong. Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters[J]. Chin. Phys. Lett., 2005, 22(11): 2795-2797.
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BAI Yu-Lin, CHEN Xiang-Rong, CHENG Xiao-Hong, YANG Xiang-Dong. Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters[J]. Chin. Phys. Lett., 2005, 22(11): 2795-2797.
BAI Yu-Lin, CHEN Xiang-Rong, CHENG Xiao-Hong, YANG Xiang-Dong. Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters[J]. Chin. Phys. Lett., 2005, 22(11): 2795-2797.
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