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

Fig. 1. Schematics of mapping from real interacting systems (left) to fictitious non-interacting systems (right). (Top) Following DFT or TDDFT, a real many-body system can be considered as a fictitious one-body system, in which each particle interacts with simple particle density. In the figure, “G” and “N” denote the number of grids and particles, respectively, in the system. Mappings of DFT and TDDFT are shown in (Middle) and (Bottom) layers, respectively.