Ab Initio Computational Approach for Nanophotonics Based on Time-Dependent Density Functional Theory

2021 
We present theoretical and computational approaches to describe ultrafast and nonlinear optical responses in nano-materials based on ab initio time-dependent density functional theory. The method is applicable to a wide variety of phenomena in nanophotonics, including nonlinear optical responses of thin films and metasurfaces, and coherent phonon generations.
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