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arXiv · 1001.2472

Second-Order Nonlinear Optics from First Principles

Eleonora Luppi·Hannes Hübener·Valérie Véniard
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Abstract

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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Eleonora Luppi, Hannes Hübener, Valérie Véniard. 2010-01-14. Second-Order Nonlinear Optics from First Principles. https://arxiv.org/abs/1001.2472

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