[21p-211A-1~14] 3.6 Ultrashort-pulse and high-intensity lasers

[21p-211A-7] Maxwell/TDDFT/MD Multi-Scale Simulation of Impulsive Stimulated Raman Spectroscopy - Analysis of Pump-Probe Signal of Coherent Phonon of Diamond -

〇Atsushi Yamada¹, Yabana Kazuhiro¹ (1.Tsukuba Univ.)

Keywords:multi-scale simulation, coherent phonon, impulsive stimulated Raman spectroscopy

We present multi-scale simulation method which describes time evolution of electromagnetic wave in macroscopic scale by solving Maxwell equation coupled with electron and nuclei dynamics in microscopic scale by time-dependent density functional theory (TDDFT) and Newton equation (MD). This method can reproduce measurement signal of spectroscopy by mimicking whole experimental system, then, we also report simulation of impulsive stimulated Raman spectroscopy for coherent phonon of diamond.