Wilfried G. Aulbur

TL;DR: An overview of quasiparticle calculations in solids, and particular, the GW approximation (GWA), can be found in this paper, where the authors present parallel algorithms both for reciprocal and real-space/imaginary-time GWA calculations and several alternative methods to determine excited states of solids within density functional theory.

TL;DR: In this article, one-particle wave functions and energies from Kohn-Sham calculations with the exact local KohnSham exchange and the local density approximation (LDA) correlation potential [EX(c)] are used as input for quasiparticle calculations in the GW approximation (GWA) for eight semiconductors.

TL;DR: In this article, the di-interstitial structure and transition paths between different defect orientations can explain the thermally activated transition of the P6 center from low-temperature to room temperature.

TL;DR: The polarization (P) dependence of the exchange-correlation energy of semiconductors results in an effective field, but this effective field is absent in local-density approximations such as LDA and GGA.

TL;DR: In this article, the first-principle quasiparticle theory in the GW approximation is used to compute valence and conduction band offsets, VBO and CBO, respectively, for hexagonal and cubic AlN-GaN interfaces.