Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H 2 + Cu(111), D 2 + Ag(111), H 2 + Au(111), and D 2 + Pt(111)

The Journal of Physical Chemistry C, vol. 125, pp. 8993–9010

Abstract

made simple meta-GGA functionals with rVV10 nonlocal correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + Pt(111)

Authors 2

1. Egidius W. F. Smeets Aachen Gorlaeus Laboratories

   Leiden University

   Affiliation as printed

   Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands

2. Geert–Jan Kroes corresponding Aachen Gorlaeus Laboratories

   Leiden University

   Affiliation as printed

   Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands