Second harmonic generation responses of ion pairs forming dimeric aggregates

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  Dynamical Chromophore-Ion Interactions Probed by their Nonlinear Optical Properties – a Multi-Scale Theoretical Chemistry Investigation

  Ramos, T. N. (PI) & CHAMPAGNE, B. (PI)

  1/03/20 → 28/02/22

  Project: Research

  • ion pairs 100%
  • second-harmonic generation 66%
  • Ion Pair 66%
  • simulation 53%
  • aggregation 50%

• CÉCI – Consortium of high performance computing centers

  CHAMPAGNE, B. (PI), Lazzaroni, R. (PI), Geuzaine , C. (CoI), Chatelain, P. (CoI) & Knaepen, B. (CoI)

  1/01/18 → 31/12/22

  Project: Research

  • nonlinear problems 100%
  • investigations 70%
  • Density Functional Theory 64%
  • density functional method 63%
  • optical properties 53%