Time-Dependent Density Functional Theory

Abstract

The basic general concepts of time-dependent density functional theory (TDDFT) are briefly outlined before focusing on the linear response formalism in this framework (LR-TDDFT). A number of approximations and connections with other methods are discussed. The crucial evolutionary stages of LR-TDDFT in terms of the theory and its applications are presented in historical order—from single point calculations of photoabsorption spectra via excited state geometry optimisations and dynamics to nonadiabatic photophysics.