Sum-frequency generation first hyperpolarizability from time-dependent Hartree-Fock method

Olivier Quinet, Benoît Champagne

Résultats de recherche: Contribution à un journal/une revueArticleRevue par des pairs

Résumé

A general time-dependent Hartree-Fock scheme has been implemented using the 2n + 1 rule in order to evaluate the sum frequency generation first hyperpolarizability. It has been applied to estimate the second-order nonlinear optical response of p-nitroaniline with one fixed frequency in the ultraviolet (UV) domain and one tunable infrared frequency. This scheme has also been employed to determine the antisymmetric isotropic component of the first hyperpolarizability of chiral molecules including belicenes.

langue originaleAnglais
Pages (de - à)463-468
Nombre de pages6
journalInternational Journal of Quantum Chemistry
Volume85
Numéro de publication4-5
Les DOIs
Etat de la publicationPublié - 15 nov. 2001

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