Optical and magnetic excitations of metal-encapsulating Si cages: A systematic study by time-dependent density functional theory

Micael J. T. Oliveira, Paulo V. C. Medeiros, José R. F. Sousa +2

Systematic study of the optical and magnetic excitations of twelve MSi${}_{12}$ and four MSi${}_{10}$ transition metal encapsulating Si cages has been carried out by employing real tim…