Optical Properties of Noble Metal Clusters from the Ab Initio Perspective

摘要: Abstract The peculiar optical properties of noble metal clusters and nanoparticles are mostly governed by the localized surface-plasmon resonance (LSPR). strong absorption arising from LSPR in visible near-UV parts spectrum many enables a multitude applications. Here, we review physical effects that dominate influence different size ranges, focusing particular on emergence phenomenon gold presence individual structure spectra, which provides information cluster’s quantum nature. Basic difficulties for experimental measurements mentioned. We likewise discuss theoretical approaches suitable ranges. Atomistic time-dependent density functional theory (TDDFT) is widely used description intermediate size, viz., between molecule-like structures comprising but few atoms sizes about 2 nm. basics these ab initio TDDFT calculations with focus time-evolution approach. present possibilities, strengths, limitations method compare briefly linear-response formalism. Finally, examples highlight strengths methods.