Many-body perturbation theory vs. density functional theory: a systematic benchmark for band gaps of solids
摘要
We benchmark many-body perturbation theory against density functional theory (DFT) for the band gaps of solids. We systematically compare four GW variants—G0W0 using the Godby-Needs plasmon-pole approximation (G0W0-PPA), full-frequency quasiparticle G0W0 (QPG0W0), full-frequency quasiparticle self-consistent GW (QSGW), and QSGW augmented with vertex corrections in W (QS