Can optical spectroscopy directly elucidate the ground state of C20?

Abstract

The optical response of the lowest energy members of the C20 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.

11 pages, 2 figures. To be published in J. Chem. Phys

References in corpus (1)

• Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in TDDFT

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