Subject: Anharmonic bondlength corrections

From: [email-masked] (Brian Hammond)
Date: Mon, 19 Dec 94 11:51:57 PST

Dear CCLers,

I am computing the potential energy curve for a very floppy diatomic.
Even at the most extreme level of theory (MP5 with gigantic basis set)
my bond length is too short. I suspect this is due to the difference 
between the experiment measuring the average bond length not the 
bottom of the potential. 
Question: Does anyone know a simple way to get the anharmonic correction
between these two distances? I have looked at the Morse potential, but
have only found expressions for the energy levels, and no indication 
whether the Morse potential can treat this problem.

Thank you for your help,

Brian Hammond
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