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Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3

Saswata Dasgupta1, John M Herbert1

  • 1Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio, 43210.

Journal of Computational Chemistry
|February 25, 2017
PubMed

Keywords:
pruned gridsMinnesota functionalsdensity functional theorymeta-GGAnumerical quadrature

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