Subject: Help: With BSSE calculation using Monstergauss

From: GOVENDEM <[email-masked]>
Date: Wed, 30 Mar 1994 10:14:41 +0200 (SAST)

Dear Netters,
We are trying to calculate the interaction energies using Morukuma 
energy decomposition analysis, however the CT(charge transfer) and 
Pol(polorization term) have no Counterpoise correction values. Could 
anyone provide info regarding this problem.
How does the monomer part of the energies contribute to such a 
calculation or is it included in finding the interaction energies.
 
Many thanks

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M.G. Govender
Centre for Theoretical and Computational Chemistry
Dept of Chemistry
University of Natal
King George V Avenue
Durban                              
South Africa                                                          

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