From owner-chemistry@ccl.net Tue Jul 28 17:21:00 2009
From: "gustavo()mercury.chem.pitt.edu" <owner-chemistry]-[server.ccl.net>
To: CCL
Subject: CCL: two photon exitation
Message-Id: <-39871-090728171950-19144-N+L5B/xwtZYyb9E0zwVpxg]-[server.ccl.net>
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Date: Tue, 28 Jul 2009 17:19:25 -0400 (EDT)
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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
=======
>
> 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>
>
>