Projects per year
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric field-induced sum-frequency generation signal of chiral liquids. These are performed at the time-dependent Hartree-Fock level on the prototypical 1-bi-2-naphtol chiral species.
- chirality nonlinear optics
- second and third hyperpolarizabilities
- time-dependent Hartree-Fock
FingerprintDive into the research topics of 'Ab initio simulation of the sum-frequency generation response of optically active liquids in the presence of a dc electric field - Determination of the absolute molecular configuration'. Together they form a unique fingerprint.
Elaboration of electron correlated quantum chemical methods to determine the mixed derivatives with respect to Cartesian coordinates and oscillating electric fields
CHAMPAGNE, B. & Quinet, O.
1/10/02 → 30/09/09