The photoabsorption spectra have been calculated for Sis and SilO （n ≤ 5） clusters using time-dependent density-function theory. Our studies suggest that Sin-1 O clusters are relatively stable than those of corresp...The photoabsorption spectra have been calculated for Sis and SilO （n ≤ 5） clusters using time-dependent density-function theory. Our studies suggest that Sin-1 O clusters are relatively stable than those of corresponding Sis clusters. Moreover, substantial differences are observed among the absorption spectra of different molecules in the energy region （0 - 8 eV）. Comparing two different exchange-correlation potentials, local-density and generalized-gradient approximations, both calculated optical spectra present the same spectral feature.展开更多
基金supported by the National Natural Science Foundation of China and China Academy of Engineering Physics under Grant No. 10676025 (NSAF)
文摘The photoabsorption spectra have been calculated for Sis and SilO （n ≤ 5） clusters using time-dependent density-function theory. Our studies suggest that Sin-1 O clusters are relatively stable than those of corresponding Sis clusters. Moreover, substantial differences are observed among the absorption spectra of different molecules in the energy region （0 - 8 eV）. Comparing two different exchange-correlation potentials, local-density and generalized-gradient approximations, both calculated optical spectra present the same spectral feature.
