CCL: two photon exitation



 Sent to CCL by: gustavo/./mercury.chem.pitt.edu
 Dear friend,
 In order to compute two-photon absorption spectra and cross sections,
 please take a look at the following article:
 "Two-photon absorption cross-sections from electronic structure methods:
 Mesoionic compounds"
 Moura, G.L.C. and Simas, A.M. Chem. Mater. 20, 4142 (2008)
 http://dx.doi.org/10.1021/cm070369o
 This article describes a procedure based on certain approximations
 of the complete sum over states equations to calculate two-photon
 absorption spectra of molecules and supramolecular systems.
 Gustavo
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 >
 > Sent to CCL by: "Sunder   Bugya" [sunderbugya * yahoo.com]
 >
 > I am looking for methodologies for calculating two photon exitation
 > properties of small (mw: 300-700) organic molecules. I am especially
 > intersted in finding something for calculating the two photon absorbtion
 > spectra.
 > Thanks for all help.
 > sunderbugya|*|yahoo.com>
 >
 >