Time-Dependent Density-Functional Calculations for Optical Spectra of Na 2 and Na 4 Clusters

Autor: Guo-Qing Xiao, Yan-Ping Zhang, Feng-Shou Zhang, Ke-Lai Meng
Rok vydání: 2007
Předmět:
Zdroj: Communications in Theoretical Physics. 47:901-904
ISSN: 0253-6102
DOI: 10.1088/0253-6102/47/5/027
Popis: 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.
Databáze: OpenAIRE