Subject: ADD TO PPP SUMMARY

From: elewars <[email-masked]>
Date: Sat, 26 Feb 2000 15:10:22 -0500

Sat Feb 26

This came just after I posted my summary; please add it as answer #7.
EL
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-------- Original Message --------
Subject: Re: CCL:PPP METHOD SUMMARY
Date: Wed, 23 Feb 2000 18:03:56 -0800
From: "Mark A. Thompson" <[email-masked]>
To: elewars <[email-masked]>
References: <[email-masked]>

If you want to calculate UV/vis spectra, you could try the INDO/s method
of
Zerner and coworkers.  As John McKelvey stated, it's not an appropriate
method for optimizing geometries, but does a good job on low-energy
electronic excited states.

I used it for several papers on the bacteriochlorophyll array in the
bacterial photosynthetic reaction center (J. Phys Chem vol 99, 1995
p. 6374-6386,  J. Phys. Chem. vol 100, 1996, 14492-14507 : and
other Thompson references therein).

I give away a PC version of the program for doing INDO/s calculations.
It can be obtained at:
http://www.seanet.com/~mthompson/ArgusLab/index.htm

Mark Thompson

----- Original Message -----
From: elewars <[email-masked]>
To: <[email-masked]>
Sent: Wednesday, February 23, 2000 11:20 AM
Subject: CCL:PPP METHOD SUMMARY