COMPUTATIONAL MODEL TO PREDICT 2-PHOTON ABSORPTION RESONANCES

Citation
Gp. Das et al., COMPUTATIONAL MODEL TO PREDICT 2-PHOTON ABSORPTION RESONANCES, Journal of the Optical Society of America. B, Optical physics, 14(9), 1997, pp. 2325-2330
Citations number
13
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Optics
ISSN journal
0740-3224
Volume
14
Issue
9
Year of publication
1997
Pages
2325 - 2330
Database
ISI
SICI code
0740-3224(1997)14:9<2325:CMTP2A>2.0.ZU;2-Y
Abstract
A model for calculating two-photon absorption intensities in conjugate d systems is presented. The semi-empirical package AM1 is used to gene rate energies and transition moments via a configuration interaction i nvolving single and double excitations. The evaluation of two-photon a bsorption cross-section data is carried out by the sum-over-states app roach. The linewidth parameters associated with the inhomogeneous-broa dening effects are estimated from the one-photon absorption cross-sect ion data. The model is then illustrated by applications to some organi c systems. (C) 1997 Optical Society of America.