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The electronic stopping power of H and He moving through gold is obtained tohigh accuracy using time-evolving density-functional theory, thereby bringingusual first-principles accuracies into this kind of strongly coupled, continuumnon-adiabatic processes in condensed matter. The two key unexplained featuresof what observed experimentally have been reproduced and understood: (i) Thenon-linear behaviour of stopping power versus velocity is a gradual crossoveras excitations tail into the d-electron spectrum; and (ii) the low-velocityH/He anomaly (the relative stopping powers are contrary to established theory)is explained by the substantial involvement of the d electrons in the screeningof the projectile even at the lowest velocities where the energy loss isgenerated by s-like electron-hole pair formation only.

Electronic stopping power in gold: The role of d electrons and the H/He anomaly