Subject: free energies

From: [email-masked] (Shepard Smithline)
Date: Tue, 11 Jul 95 10:28:09 CDT

Dear Fellow Computatinal Chemists:

Does anyone know of any references that describe the 
calculation of the anharmonic comtribution to the free energy?
One way of doing this would be to implement
a free energy perturbation scheme using a harmonic reference system.
Does anyone know of someone who has done this?

If there is sufficient interest, I will post to the net.
Thanks, in advance,

Shep Smithline