Optical response of small magnesium clusters

We predict strong enhancement in the photoabsorption of small Mg clusters in the region of 4-5 eV due to the resonant excitation of the plasmon oscillations of cluster electrons. Photoabsorption spectra for neutral Mg clusters consisting of up to N = 11 atoms have been calculated using an ab initio framework based on the time-dependent density functional theory (TDDFT). The nature of predicted resonances has been elucidated by comparison of the results of the an ab initio calculations with the results of the classical Mie theory. The splitting of the plasmon resonances caused by the cluster deformation is analysed. The reliability of the calculation scheme used has been proved by performing the test calculation for a number of sodium clusters and the comparison of the results obtained with the results of other methods and experiment.