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Abstract

Metal-cluster dimers are a prototypical scenario for quantum plasmonics. The well-known hybridization of localized surface plasmons (LSPs) is strongly affected by the appareance of light-induced currents between the nanoparticles, breacking down the predictions of classical optics. The main trends can be well understood using the jellium model and time-dependent density functional theory (TDDFT). However, atomic structure has to be consider to have results with enough predictive accuracy. In this work we provide further insights on the importance of the atomic structure, including effects due to the relative orientation of the atoms and relaxation of the atoms in the gap region.