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We present an efficient implementation of the Bethe-Salpeter equation (BSE)for optical properties of materials in the projector augmented wave methodGPAW. Single-particle energies and wave functions are obtained from the GLLBSCfunctional which explicitly includes the derivative discontinuity, iscomputationally inexpensive, and yields excellent fundamental gaps.Electron-hole interactions are included through the BSE using the staticallyscreened interaction evaluated in the random phase approximation. For arepresentative set of semiconductors and insulators we find excellent agreementwith experiments for the dielectric functions, onset of absorption, and lowestexcitonic features. For the two-dimensional systems of graphene and hexagonalboron-nitride (h-BN) we find good agreement with previous many-bodycalculations. For the graphene/h-BN interface, we find that the fundamental andoptical gaps of the h-BN layer are reduced by 2.0 eV and 0.7 eV, respectively,compared to freestanding h-BN. This reduction is due to image charge screeningwhich shows up in the GLLBSC calculation as a reduction (vanishing) of thederivative discontinuity.

physical review. b, condensed matter and materials physics

Optical properties of bulk semiconductors and graphene/boron-nitride:  The Bethe-Salpeter equation with derivative discontinuity-corrected DFT  energies