Subject: BSSE

From: [email-masked] (Faculty)
Date: Wed, 1 May 1996 11:41:17 +0500

Status: R

Dear Sirs :
   WE are currently studying structures and energetics of weak
intermolecular complexes. We have good starting geometries for A...B complexes wherein monomer geometries are kept intact. After full
optimization(ab initio), however, the monomer geometries do change
to some degree.
For applying the Boys-Bernardi Counterpoise correction to
monomer energies, which geometries should one choose?
Thanks.......................................Shridhar Gadre
[email-masked] OR [email-masked]

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