TDDFT calculation for photoabsorption spectra of Lin (n=2-11,20) clusters

X. H. Hong, F. Wang*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

17 引用 (Scopus)

摘要

The photoabsorption spectra have been calculated for Lin (n=2-11,20) clusters based on a real-space, real-time implementation of time-dependent density functional theory (TDDFT). The calculated results are in very good agreement with available experimental spectra. The photoabsorption spectra of two characteristic Li5 isomers are taken as a sample to give a good show of quantum size effect of metal clusters. Furthermore, the effect of packing and growth of Lin clusters on the photoabsorption spectra is discussed.

源语言英语
页(从-至)1883-1888
页数6
期刊Physics Letters, Section A: General, Atomic and Solid State Physics
375
18
DOI
出版状态已出版 - 2 5月 2011

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