Time-Dependent Density Functional Theory for Excited State Dynamics of Materials

Abstract

Over the past decades, density functional theory (DFT) aimed at studying the physics of materials have made remarkable advances to become an essential methodology in several re- search fields. Despite such a success, DFT is a theory only concerning electronic ground states. While there are plenty of interesting phenomena in electronic excited states, the theory for such a subject is still in its early stage. This article introduces time dependent density functional theory, as a promising theory on the excited state and its dynamics, and discusses its possibilities and current limits.