Coupling classical electrodynamics with quantum mechanics for metal particle optical properties

This talk will describe recent theory work in my group aimed at understanding plasmon excitation in silver and gold particles, and how this collective electron excitation influences single-electron excitation processes in molecules near the particles including absorption and surface enhanced Raman scattering. Two approaches will be considered: (1) a top-down theory in which nonlocal dielectric functions are included into classical electrodynamics, thereby incorporating quantum effects into the metal particle response, and (2) a bottom-up theory in which real-time time-dependent density functional theory for the molecule is combined with classical electrodynamics for the metal particle. Applications of these theories to plasmonic solar cells and to SERS for nanoparticle junctions will be described.