Density functionals for nondynamical correlation constructed from an upper bound to the exact exchange energy density
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DOI: 10.1080/00268976.2018.1535673
Abstract: ABSTRACT Hyper-generalised-gradient approximations (hGGAs) for the exact exchange-correlation functional are increasingly popular in density functional theory. HGGAs model nondynamical correlation using a flexible local combination of exact (Hartree–Fock, HF) exchange and approximate exchange. We present… read more here.
Keywords: exact exchange; density; upper bound; nondynamical correlation ... See more keywords