Time-dependent density functional theory for a unified description of ultrafast dynamics: pulsed light, electrons, and atoms in crystalline solids

Abstract

We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density functional theory is used to describe the microscopic dynamics. The method is applicable to wide phenomena in nonlinear and ultrafast optics. To show usefulness of the method, we apply it to a pump-probe measurement of coherent phonon in diamond where a Raman amplification takes place during the propagation of the probe pulse.

References in corpus (4)

• SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
• Time-dependent density functional theory for interaction of ultrashort light pulse with thin materials
• Spectrally resolved detection in transient-reflectivity measurements of coherent optical phonons in diamond
• Coherent control theory and experiment of optical phonons in diamond

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