Deorbitalized meta-GGA exchange-correlation functionals in solids
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DOI: 10.1103/physrevb.98.115161
Abstract: A procedure for removing explicit orbital dependence from meta-generalized-gradient approximation (meta-GGA) exchange-correlation functionals by converting them into Laplacian-dependent functionals recently was developed by us and shown to be successful in molecules. It uses an approximate… read more here.
Keywords: meta gga; correlation functionals; meta; gga exchange ... See more keywords