Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

Abstract

We calculate the optical absorption spectrum of hydrogen-terminated silicon clusters by solving the Bethe-Salpeter equation for the two-particle Green's function using an ab initio approach. The one-particle Green's function and the electron-hole interaction kernel are calculated within the $\mathrm{GW}$ approximation for the electron self-energy operator. Very large exciton binding energies are observed. Our results for the one-particle properties and the optical absorption spectra of the clusters are in very good agreement with available experimental data.