Full-dimensional machine-learned electronic friction tensors for H2 on four Cu facets show nonadiabatic electron-hole-pair effects are subtle and dissociation is controlled by the potential energy surface.
G.; Westermayr, J.; Douglas-Gallardo, O
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Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
Full-dimensional machine-learned electronic friction tensors for H2 on four Cu facets show nonadiabatic electron-hole-pair effects are subtle and dissociation is controlled by the potential energy surface.