All-electron Density Functional Theory and Time- Dependent Density Functional Theory with Finite Elements

The density functional theory (DFT) has become the workhorse in electronic structure calculations. Its success derives from the ability to produce accurate results with reasonable computational effort. The drawback of the DFT is that in principle it is bound to the ground-state properties. However, the time-dependent DFT (TDDFT) extends the applicatibility of the DFT to excited states. In recent years, TDDFT has been applied successfully to several problems, such as the calculation of optical absorption spectra of broad variety of systems, nonlinear optical response, and coherent control [1].