“…While many studies are still performed with the Born-Oppenheimer (BO) static surface (BOSS) model, 35,43,46,48,61,65,66,76,80,82,87,88,91,98,100,103-106,110-113, 115-117,119-121,123,132,134,137,143,144,148,150-152,156,158,159,163,169,176,177,186,187 increasingly studies explicitly take into account surface atom motion 44,47,51,63,70,83-86,89,92-94,96,101,107,118,124,136,139,141,153,157,164-166, 170-173,175,181-185,188-191 or ehp excitation, 57,58,64,85,95,97,99,122,124,129,140,174 or both. 59,69,74,109,114,138,142,143,146,147,168,180,192 In some cases, ehp excitation as well as non-adiabatic electron transfer was modeled. [125][126][127][128] To give an idea of the kind of accuracy that can be achieved with standard semi-local DFs, we consider three examples that compare theory with experiment.…”