Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation - Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.; Sun, Jianwei (Physical review. X, 2016)
Keywords: Accuracy; Approximation; atomic, molecular and optical; Benzene; Bilayers; Binding energy; catalysis (heterogeneous), solar (photovoltaic), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, mechanical behavior, materials and chemistry by design, synthesis (novel materials); chemical bonding; Chemical bonds; Chemists; condensed matter and materials physics; Constants; Covalence; Covalent bonds; Density functional theory; Graphene; Heterostructures; Hydrocarbons; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Interlayers; Lattice parameters; Layered materials; MATERIALS SCIENCE; Materials selection; Mathematical analysis; meta-GGA; Metal surfaces; Nickel; Physicists; Rare gases; Van der Waals interaction; Versatility