Time-dependent density-functional calculations for optical spectra of Na-2 and Na-4 clusters


Autoria(s): Zhang, YP (Zhang Yan-Ping); Zhang, FS (Zhang Feng-Shou); Meng, KL (Meng Ke-Lai); Xiao, GQ (Xiao Guo-Qing)
Data(s)

15/05/2007

Resumo

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 Na-2 and Na-4 clusters. It is shown that our calculated results are in good agreement with the experiment. In addition, our calculated spectrum for the Na-4 cluster is in better agreement with experiment than the GW absorption spectrum.

Identificador

http://ir.impcas.ac.cn/handle/113462/5981

http://www.irgrid.ac.cn/handle/1471x/132677

Idioma(s)

英语

Fonte

Zhang, YP (Zhang Yan-Ping); Zhang, FS (Zhang Feng-Shou); Meng, KL (Meng Ke-Lai); Xiao, GQ (Xiao Guo-Qing) .Time-dependent density-functional calculations for optical spectra of Na-2 and Na-4 clusters,COMMUNICATIONS IN THEORETICAL PHYSICS ,MAY 15 2007,47(5):901-904

Palavras-Chave #time-dependent local density approximation #optical response of cluster KeyWords Plus: MANY-ELECTRON SYSTEMS #SMALL METAL PARTICLES #ABSORPTION-SPECTRA #EXCITED-STATE #PHOTODEPLETION #DYNAMICS
Tipo

期刊论文