(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

Résultats de recherche

• Systèmes supramoléculaires fonctionnels (PAI P6/27)

  Champagne, B., Wouters, J., BOTEK, E., DE WERGIFOSSE, M., GUTHMULLER, J., Liegeois, V., NORBERG, B., Plaquet, A., STAELENS, N. & Vercauteren, D.

  1/01/07 → 31/12/11

  Projet: Recherche

  • Hyperpolarizability 100%
  • Electron Particle 42%
  • Density Functional Theory 33%
  • Procedure 32%
  • Structure 30%

• TINTIN - ARC 09/14-23: Molecular TINkertoys for OpToelectronics and SpINtronics - TINTIN

  BONIFAZI, D., Champagne, B., FORENSI, S., SEGERIE, A. & Melinte, S.

  1/09/09 → 31/08/14

  Projet: Recherche

  • Hyperpolarizability 100%
  • Procedure 36%
  • Third-Order Nonlinear Optical Property 25%
  • Density Functional Theory 24%
  • Structure 23%