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

Project: Research

Project Details


The aim of this project is the development of mixed quantum/classical procedures for the determination of macroscopic susceptibilities of condensed phases. Intermolecular interaction effetcs are treated as an electrostatic interaction between multipoles and polarizabilities of the constitutive molecules. These microscopic properties are determined by quantum techniques.
Effective start/end date1/10/0431/12/08


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