title: Nonlinear optical response in solids from time-dependent density-functional theory simulations.
abstract: A new method for computing nonlinear susceptibilities of periodic solids is presented. The electronic response and polarization current are obtained from time-dependent Schrödinger 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.
authors.affiliation: Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.
authors.forename: Vladimir A
authors.initials: VA
authors.lastname: Goncharov