Mixed quantum/classical procedures development for determining non-linear optical properties of condensed phases

Project: PHD

Project Details

Description

The aim of this project is the development of mixed quantum/classical procedures for the determination of linear and non-linear macroscopic susceptibilities of condensed phases, including the frequency dispersion. Intermolecular interaction effetcs will be treated by the resolution of an electrostatic interaction problem between multipoles and point polarisations of the constitutive molecules. These microscopic properties will be determined by various elaborated quantum methodologies. The developed methodologies will allow us to caracterize non-linear optical properties of molecular cristals, narrow films and other amorphous solids.
StatusFinished
Effective start/end date1/10/001/10/04

Keywords

  • intermolecular interactions
  • macroscopic susceptibilities
  • nonlinear optics
  • frequency dispersion
  • condensed phase