Designing new SRP density functionals including non-local vdW-DF2 correlation for H2 + Cu(111) and their transferability to H2 + Ag(111), Au(111) and Pt(111)

Author(s):: Smeets, E.W.F.; Kroes, G.J. (0000-0002-4913-4689)

Published: 2021
Publication type: Article / Letter to editor

Date issued: 2021
Language: English
Publisher: Royal Society of Chemistry (RSC)
Is part of: Physical Chemistry Chemical Physics (2021), Vol. 23, no. 13, p. 7875-7901
hdl: 1887/3216929
doi: 10.1039/d0cp05173j
URL: http://dx.doi.org/10.1039/d0cp05173j

Funding

Sponsorship: NWO