Core Polarization in the Optical Response of Metal Clusters: Generalized Time-Dependent Density-Functional Theory

摘要: We present a generalized time-dependent density-functional theory (TDDFT) for the optical response of metal clusters where both core polarization and valence responses are treated microscopically. It is shown that electrons described by an effective external field residual interaction those standard TDDFT modified self-consistent contributions array polarizable ionic cores. As application equations solved within adiabatic local-density approximation silver clusters, $4d$ greatly influence response. The experimental data well reproduced theory.