A Couple of Questions and Hopefully some Answers about Optical Spectra in Semiconductors
Eleonora Luppi
Laboratoire de Chimie Théorique, UMR 7616, Paris, France
Mercredi 2 Octobre 2019, 11h00
bibliothèque LCT, tour 12 - 13, 4ème étage
Is it possible to improve the theoretical description of second-harmonic generation in semiconductors using TDDFT and accurate long-range corrected exchange-correlation kernels? Or do we need frequency dependent kernels or kernels specific for the second-order nonlinear optical response? Can hybrid functionals help to describe optical properties of semiconductors?