摘要

A new method for computing nonlinear susceptibilities of periodic solids is presented. The electronic response and polarization current are obtained from time-dependent Schrodinger equation dynamically coupled to the external electromagnetic field. Solid's polarization resulting from quasi-monochromatic excitation is examined in frequency domain. The higher order susceptibilities are calculated non-perturbatively. The method is illustrated by examples of third harmonic generation in silicon and carbon diamond.

  • 出版日期2013-8-28