All-Electron Gaussian-Based <i>G</i>₀<i>W</i>₀ for Valence and Core Excitation Energies of Periodic Systems

We describe an all-electron $G_0W_0$ implementation for periodic systems with $k$-point sampling implemented in a crystalline Gaussian basis. Our full-frequency method relies on efficient density fitting integrals and includes both analytic continuation contour deformation schemes. Due to the compactness of bases, no virtual state truncation is required as seen many plane-wave formulations. Finite size corrections are included by taking $q \to 0$ limit Coulomb divergence. Using our implementation, we study quasiparticle energies band structures across range including molecules, semiconductors, rare gas solids, metals. find that gaps traditional semiconductors converge rapidly respect basis size, even conventionally challenging case ZnO. correlation-consistent bases polarized triple-zeta quality, mean absolute relative error extrapolated $G_0W_0$@PBE be only 5.2% when compared experimental values. For core excitation binding (CEBEs), predictions improve significantly over those from DFT if calculations started hybrid functionals high percentage exact exchange.