화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.5, 1930-1933, 2002
Can optical spectroscopy directly elucidate the ground state of C-20?
The optical response of the lowest energy isomers of the C-20 family is calculated using time-dependent density functional theory within a real-space, real-time scheme. Significant differences are found among the spectra of the different isomers, and thus we propose optical spectroscopy as a tool for experimental investigation of the structure of these important clusters.