Fig. 9From: A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementationDFT (PBE) and hybrid-DFT (PBE0) results for the Au\(_{20}^{-}\) + H2 adsorption reaction from periodic plane-wave DFT calculations. Representative geometries are illustrated along the pathway. Results using Wannier and filtered periodic exact exchange kernels are shown. The hybrid-DFT PBE0 calculations contain 0.25 exact exchangeBack to article page