Fig. 8. Lowest reaction barrier heights for H2 + Al(110) vs. those for H2 + Cu(111), both taken relative to the best semi-empirical values, as obtained with DFs including semi-local exchange (i.e., not including exact exchange, indicated by blue symbols), with screened hybrid DFs (yellow and orange symbols), with diffusion Monte-Carlo (red symbol) and with the RPA (maroon symbol). The concentric gray shaded ellipses indicate areas that would be circles in an equal-distanced representation, with radii of 1 (darkest grey), 2, 3, and 4 (lightest gray) kcal mol−1 respectively. For details see ref. 58. Figure reprinted from B. Oudot, K. Doblhoff-Dier, Journal of Chemical Physics, vol. 161, Article ID 054708, 2024; licensed under a Creative Commons Attribution (CC-BY) license.
