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The Origin of Bulk-Like Optical Response in Noble (Ag, Au)...

by Juan C Idrobo Tapia, Sokrates Pantelides
Publication Type
Journal
Journal Name
Physical Review B
Publication Date
Page Number
085420
Volume
82
Issue
8

The origin of bulk-like optical response of noble (silver and gold) metal nanoparticles has been studied using classical (Mie) and time-dependent density functional theories. We find that the bulk-like optical response in the silver and gold nanoparticles is strongly correlated to the electronic d-character of the valence electrons, while the correlations with atomic coordination and particle size are weaker. The importance of Coulomb and exchange-correlation interactions to model optical responses is also discussed.