Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)

Physical Chemistry Chemical Physics, vol. 23, pp. 7875–7901

Abstract

Non-local correlation is a key ingredient for a chemically accurate description of hydrogen interacting with transition metal surfaces.

Authors 2

1. Egidius W. F. Smeets Aachen Leiden Institute of Chemistry Univeristeit Leiden

   Leiden University

   Affiliation as printed

   Leiden

   Leiden Institute of Chemistry

   The Netherlands

   Univeristeit Leiden

   Univeristeit Leiden, Leiden Institute of Chemistry, Einsteinweg 55, Leiden, The Netherlands

2. Geert–Jan Kroes corresponding Aachen Leiden Institute of Chemistry Univeristeit Leiden

   Leiden University

   Affiliation as printed

   Leiden

   Leiden Institute of Chemistry

   The Netherlands

   Univeristeit Leiden

   Univeristeit Leiden, Leiden Institute of Chemistry, Einsteinweg 55, Leiden, The Netherlands