Excitons in small hydrogenated Si clusters

Abstract
The excitonic states of four small hydrogenated Si clusters (SiH4,Si2H6,Si5H12, and Si10H16) are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density approximation can provide suitable zeroth-order approximations in these systems.