کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1859596 | 1037346 | 2011 | 6 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: TDDFT calculation for photoabsorption spectra of Lin (n=2–11,20n=2–11,20) clusters TDDFT calculation for photoabsorption spectra of Lin (n=2–11,20n=2–11,20) clusters](/preview/png/1859596.png)
The photoabsorption spectra have been calculated for Lin (n=2–11,20n=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.
► The photoabsorption spectra of Li clusters are calculated systematically.
► The calculated results are in very good agreement with available experimental spectra.
► The effect of packing and growth of clusters on photoabsorption spectra is discussed.
Journal: Physics Letters A - Volume 375, Issue 18, 2 May 2011, Pages 1883–1888