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cond-mat.mtrl-sci2010★ 78 cited
Ab Initio Second-Order Nonlinear Optics in Solids: Second-Harmonic Generation Spectroscopy from Time-Dependent Density-Functional Theory
Eleonora Luppi, Hannes Hübener, Valérie Véniard
We present in detail the formulation of the ab initio theory we have developed for the calculation of the macroscopic second-order susceptibility . We find a general expre…
cond-mat.mtrl-sci2010
Second-Order Nonlinear Optics from First Principles
Eleonora Luppi, Hannes Hübener, Valérie Véniard
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.…