Performance of made simple meta-GGA functionals with rVV10 nonlocal correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + 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: 2021-04-21
Language: English
Publisher: American Chemical Society (ACS)
Is part of: The Journal of Physical Chemistry C (2021), Vol. 125, no. 17, p. 8993-9010
hdl: 1887/3216925
doi: 10.1021/acs.jpcc.0c11034
URL: http://dx.doi.org/10.1021/acs.jpcc.0c11034

Funding

Sponsorship: NWO