Real-time and real-space density functional calculation for electron dynamics in crystalline solids

Yabana, Kazuhiro*; Shinohara, Yasushi*; Otobe, Tomohito; Iwata, Junichi*; Bertsch, G. F.*

We report a first-principle computational method to describe many-electron dynamics in crystalline solid. The method is based on the time-dependent density functional theory, solving time-dependent Kohn-Sham equation in real-time and real-space. The calculation is efficiently parallelized by distributing computations of different -point among processors. To illustrate usefulness of the method and efficiency of the parallel computation, we show calculations of electron dynamics in bulk Si induced by intense and ultrafast laser pulse.