Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters
BAI Yu-Lin1, CHEN Xiang-Rong1, CHENG Xiao-Hong2, YANG Xiang-Dong1,2
1Department of Physics and Electronic Information, Yibin University, Yibin 644000
2Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065
Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters
BAI Yu-Lin1;CHEN Xiang-Rong1;CHENG Xiao-Hong2;YANG Xiang-Dong1,2
1Department of Physics and Electronic Information, Yibin University, Yibin 644000
2Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065
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.
BAI Yu-Lin;CHEN Xiang-Rong;CHENG Xiao-Hong;YANG Xiang-Dong;. Ab Initio Calculations for the Polarizabilities of Small Sulfur Clusters[J]. 中国物理快报, 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. Chin. Phys. Lett., 2005, 22(11): 2795-2797.
2005, Vol. 22 
