SCC-DFTB calculation of the static first hyperpolarizability: From gas phase molecules to functionalized surfaces

Search results

• Finished

  PAI n°P7/05 - FS2: Functional Supramolecular Systems (FS2)

  CHAMPAGNE, B., De Vos, D., Van der Auweraer, M., Jérôme, C., Lazzaroni, R., Marin, G., Jonas, A., Du Prez, F., Vanderzande, D., Van Tendeloo, G., Van Speybroeck, V., NENON, S. & STAELENS, N.

  1/04/12 → 30/09/17

  Project: Research

  • Hyperpolarizability 100%
  • Molecule 59%
  • Procedure 58%
  • Density Functional Theory 44%
  • Second Order 40%

• 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

  Project: Research

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