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We present an approach to calculate the optical absorption spectra thatcombines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106(2007)] for the electronic structure with the solution of the ladderapproximation to the Bethe-Salpeter equation for the macroscopic dielectricfunction. The solution of the Bethe-Salpeter equation has been implementedwithin an all-electron framework, using a linear muffin-tin orbital basis set,with the contribution from the non-local self-energy to the transition dipolemoments (in the optical limit) evaluated explicitly. This approach addressesthose systems whose electronic structure is poorly described within thestandard perturbative GW approaches with as a starting point density-functionaltheory calculations. The merits of this approach have been exemplified bycalculating optical absorption spectra of a strongly correlated transitionmetal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, thecalculated spectrum is in good agreement with the experiment. It is also shownthat for systems whose electronic structure is well-described within thestandard perturbative GW, such as Si, LiF and h-BN, the performance of thepresent approach is in general comparable to the standard GW plusBethe-Salpeter equation. It is argued that both vertex corrections to theelectronic screening and the electron-phonon interaction are responsible forthe observed systematic overestimation of the fundamental bandgap and spectrumonset.

Accurate optical properties from first principles: a Quasiparticle Self consistent GW plus Bethe-Salpeter Equation approach