Characterization of the vibrational nonlinear optical properties

Project: Research

Description

We are developping perturbation, finite field, and field-induced coordinates methods to evaluate the vibrational hyperpolarizabilities of small molecules and large conjugated systems. We are focussing on frequency-dispersion effects, anharmonic contributions and electron correlation effects.
StatusFinished
Effective start/end date31/12/9330/12/09

Keywords

  • conjugated polymers
  • vibrations
  • nonlinear optics
  • ZPVA
  • finite field relaxation
  • hyperpolarizabilities