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arXiv · physics/9903041

Optical response of small silver clusters

K. Yabana·G. F. Bertsch
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Abstract

The time-dependent local density approximation is applied to the optical response of the silver clusters, Ag_2, Ag_3, Ag_8 and Ag_9^+. The calculation includes all the electrons beyond the closed-shell Ag^{+11} ionic core, thus including for the first time explicitly the filled d-shell in the response. The excitation energy of the strong surface plasmon near 4 eV agrees well with experiment. The theoretical transition strength is quenched by a factor of 4 with respect to the pure s-electron sum rule in Ag_8 due to the d-electrons. A comparable amount of strength lies in complex states below 6 eV excitation. The total below 6 eV, about 50% of the s sum rule, is consistent with published experiments.

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K. Yabana, G. F. Bertsch. 1999-03-25. Optical response of small silver clusters. https://doi.org/10.1103/physreva.60.3809

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