Subject: Computing absorbtion and emission spectral band shapes

From: "John McKelvey" <jmmckel=at=attglobal.net>
Date: Mon, 10 May 2004 07:44:37 -0500

Hello..

I am interested in computing UV-VIS absorbtion and emission band shapes.  I can optimize geometries in the ground and excited states and can compute the respective vibrational frequencies and normal modes.  I would like to locate a paper or two, or even some code, that provides enough detailed information so that the remaining steps can be coded.

Any assistance would most appreciated.

Best regards,

John McKelvey