Ab InitioCalculation of Excitonic Effects in the Optical Spectra of Semiconductors

Abstract

An ab initio approach to the calculation of excitonic effects in the optical absorption spectra of semiconductors and insulators is formulated. It starts from a quasiparticle band structure calculation and is based on the relevant Bethe-Salpeter equation. An application to bulk silicon shows a substantial improvement with respect to previous calculations in the description of the experimental spectrum, for both peak positions and line shape.