XVIth International Workshop on
Quantum Systems in
Chemistry and Physics
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Predicting and interpreting the nonlinear optical responses of complex systems
Benoît CHAMPAGNE
Laboratoire de Chimie Théorique, UCPTS, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles, 61, B-5000 Namur, BELGIUM, benoit.champagne@fundp.ac.be
This talk will tackle the problem of predicting and interpreting the nonlinear optical (NLO) responses of complex systems by using quantum chemistry approaches. β and γ, the first and the second hyperpolarizabilities are delicate quantities to predict and reliable (qualitative and/or quantitative) predictions require i) to account for the effects of electron correlation, ii) to choose a sufficiently extended basis set, iii) to include the frequency dispersion effects, iv) to evaluate the vibrational contributions, and v) to describe the interactions with the surrounding. Some of these aspects will be highlighted, starting from model compounds and going to complex systems, including NLO molecular switches, helical chains, ferroelectric liquid crystals, and fluorescent proteins.


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Accommodation | Location and Access | Previous Workshops | ISTCP-VII | Photos