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Time-dependent density-functional calculations for optical spectra of Na2 and Na4 clusters
  • 时间：0
  • 分类：O562.1[理学—原子与分子物理;理学—物理]
  • 作者机构：[1]Center of Theoretical Nuclear Physics, National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou 730000, China, [2]Institute of Modern Physics, the Chinese Academy of Sciences, Lanzhou 730000, China, [3]Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875, China, [4]Graduate School of the Chinese Academy of Sciences, Beijing 100049, China
  • 相关基金：The project supported by National Natural Science Foundation of China under Grant Nos. 10405025, 10575012, 10435020, and 10535010
  • 相关项目：重离子与DNA相互作用的理论研究
关键词： NA2, Na4, 钠原子团簇, 光子吸收谱, 时变密度泛函计算, time-dependent local density approximation, optical response of cluster
中文摘要：

与时间依赖者本地人密度近似的框架，对簇的光反应的有效描述被用来学习 Na_2 和 Na_4 簇的 the.photo 吸收十字节。我们的计算结果在对实验的好同意，这被显示出。另外，我们为 Na_4 簇的计算光谱比 GW 吸收光谱在对实验的更好的同意。

英文摘要：

With the frame of the time-dependent local density approximation, an efficient description of the optical response of clusters has been used to study the photo-absorption cross section of Na2 and Na4 clusters. It is shown that our calculated results are in good agreement with the experiment. In addition, our calculated spectrum for the Na4 cluster is in better agreement with experiment than the GW absorption spectrum.

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