Projets par an
Résumé
Using a two-site valence configuration interaction model, we reveal the diradical character (y) dependences of the third-harmonic generation (THG) spectra of singlet diradicaloids, which are described by the photon energy-dependent THG second hyperpolarizabilities γ. We particularly examine three- and two-photon resonance peaks associated with the dipole-allowed transition to the first excited state and with the dipole-forbidden transition to the second excited state, respectively. When increasing y, both peaks move to lower-energy region and become close to each other. Although the THG γ spectral intensities show resonance enhancements for any y value, we observe for THG γ the same bell-shape behavior as a function of y, as for the static γ, irrespective of the photon energy.
langue originale | Anglais |
---|---|
journal | Theoretical Chemistry Accounts |
Volume | 134 |
Numéro de publication | 3 |
Les DOIs | |
Etat de la publication | Publié - 2015 |
Empreinte digitale
Examiner les sujets de recherche de « Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems ». Ensemble, ils forment une empreinte digitale unique.Projets
- 3 Terminé
-
Quantum chemical design of open-shell nonlinear optical materials
CHAMPAGNE, B. (Responsable du Projet), SEIDLER, T. (Responsable du Projet), DE WERGIFOSSE, M. (Responsable du Projet) & Nakano, M. (Responsable du Projet)
1/04/14 → 31/12/21
Projet: Recherche
-
PAI n°P7/05 - FS2: Systèmes supramoléculaires fonctionnels (PAI P7/05)
Champagne, B. (Co-investigateur), De Vos, D. (Responsable du Projet), Van der Auweraer, M. (Co-investigateur), Jérôme, C. (Co-investigateur), Lazzaroni, R. (Co-investigateur), Marin, G. (Co-investigateur), Jonas, A. M. (Co-investigateur), Du Prez, F. (Co-investigateur), Vanderzande, D. (Co-investigateur), Van Tendeloo, G. (Co-investigateur), Van Speybroeck, V. (Co-investigateur), NENON, S. (Chercheur) & STAELENS, N. (Chercheur)
1/04/12 → 30/09/17
Projet: Recherche
-
TINTIN - ARC 09/14-23: Molecular TINkertoys for OpToelectronics and SpINtronics - TINTIN
BONIFAZI, D. (Responsable du Projet), CHAMPAGNE, B. (Co-investigateur), FORENSI, S. (Chercheur), SEGERIE, A. (Chercheur) & Melinte, S. (Co-investigateur)
1/09/09 → 31/08/14
Projet: Recherche
Équipement
-
Plateforme Technologique Calcul Intensif
Champagne, B. (!!Manager)
Plateforme technologique Calcul intensifEquipement/installations: Plateforme technolgique