Second-Order Nonlinear Optics from First Principles

Details Second-Order Nonlinear Optics from First Principles Second-Order Nonlinear Optics from First Principles

2010-01-14

arxiv.org/abs/1001.2472v1

Physics

Condensed Matter

Materials Science

4 pages, 2 figures

Scientific paper

We present a new first-principle theory for the calculation of the macroscopic second-order susceptibility chi^(2), based on the Time-Dependent Density-Functional Theory approach. Our method allows to include straightforwardly the many-body effects. We apply the theory to the computation of the Second-Harmonic Generation spectroscopy, showing a very good agreement with experiment for cubic semiconductor GaAs.

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