Nonlinear polarization evolution using time-dependent density functional theory.

  title={Nonlinear polarization evolution using time-dependent density functional theory.},
  author={Mitsuharu Uemoto and Yukichi Kuwabara and Shunsuke A. Sato and Kazuhiro Yabana},
  journal={The Journal of chemical physics},
  volume={150 9},
We propose a theoretical and computational approach to investigate temporal behavior of a nonlinear polarization in a perturbative regime induced by an intense and ultrashort pulsed electric field. First-principles time-dependent density functional theory is employed to describe the electron dynamics. Temporal evolution of third-order nonlinear polarization is extracted from a few calculations of electron dynamics induced by pulsed electric fields with the same time profile but different… 
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