Low-Scaling <i>GW</i> with Benchmark Accuracy and Application to Phosphorene Nanosheets
Jan Wilhelm, Patrick Seewald, Dorothea Golze
Abstract
@PBE level.
Topics & Concepts
PhosphoreneScalingAtomic orbitalBenchmark (surveying)CoulombAlgorithmPhysicsValence (chemistry)Computational physicsComputer scienceMaterials scienceBand gapElectronMathematicsQuantum mechanicsGeodesyGeographyGeometry2D Materials and ApplicationsMachine Learning in Materials ScienceElectronic and Structural Properties of Oxides