Plane wave basis set correction methods for RPA correlation energies

22 Jan 2020 Riemelmoser Stefan Kaltak Merzuk Kresse Georg

Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the basis set incompleteness error... (read more)

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  • MATERIALS SCIENCE
  • CHEMICAL PHYSICS