| Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters |
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| 引用本文： | 白玉林 程晓洪 程艳 陈向荣 杨向东. Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small Carbon Clusters[J]. 中国物理快报, 2004, 21(12): 2410-2413 |
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| 作者姓名： | 白玉林 程晓洪 程艳 陈向荣 杨向东 |
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| 作者单位： | [1]DepartmentofElectronicInformationScienceandTechnology,YibinUniversity,Yibin644000／／InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065 [2]DepartmentofElectronicInformationScienceandTechnology,YibinUniversity,Yibin644000 [3]InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065 [4]InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065／／InternationalCentreforMaterialsPhysics,ChineseAcademyofSciences,Shenyang110016 |
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| 摘 要： | 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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| 关 键 词： | 吸收光谱 碳丛聚 局部密度 近似计算 |
Time-Dependent Local Density Approximation Calculations for Absorption Spectra of Small 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]. Chinese Physics Letters, 2004, 21(12): 2410-2413 |
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| Authors: | BAI Yu-Lin CHENG Xiao-Hong CHENG Yan CHEN Xiang-Rong YANG Xiang-Dong |
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| Affiliation: | Department of Electronic Information Science and Technology, Yibin University, Yibin 644000 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016 |
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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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| Keywords: | 36.40.-c 36.20.Kd 71.15.Mb 71.35.Cc |
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