Projects per year
a) The γTHS response is dominated by its isotropic contribution ;
b) For βSHS the dipolar contribution increases from carbon tetrachloride to dichloromethane, chloroform, chloromethane, and acetonitrile.
Comparisons with the experimental data obtained from measurements in liquid phase show that the increase of γTHS with the number for chlorine atoms is well reproduced by the calculations and suggest that the solvation effects are smaller for γTHS than for βSHS.
|Publication status||Published - 2019|
- 1 Finished
CHAMPAGNE, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.
1/01/18 → 31/12/22
Prediction and analysis of the electronic and vibrational contributions to the second and third harmonic scattering responses using ab initio methods
Pierre Beaujean (Speaker)21 Sept 2018
Activity: Talk or presentation types › Oral presentation
Beaujean, P., 7 Oct 2021
Supervisor: CHAMPAGNE, B. (Supervisor), DEPARIS, O. (President), DE WERGIFOSSE, M. (Jury), Liegeois, V. (Jury), Vercauteren, D. (Jury), Castet, F. (External person) (Jury) & Sanguinet, L. (External person) (Jury)
Student thesis: Doc types › Doctor of SciencesFile