From owner-chemistry@ccl.net Thu Jul 28 14:41:01 2011
From: "Tymofii Nikolaienko tim_mail]_[ukr.net" <owner-chemistry,,server.ccl.net>
To: CCL
Subject: CCL: BSSE for MP2
Message-Id: <-45166-110728143711-4482-JFyKs65igYhOLBw3p6ydlQ,,server.ccl.net>
X-Original-From: "Tymofii  Nikolaienko" <tim_mail_+_ukr.net>
Date: Thu, 28 Jul 2011 14:37:07 -0400


Sent to CCL by: "Tymofii  Nikolaienko" [tim_mail(_)ukr.net]
Dear Adel!

Please find detailed description of sample calculation
at http://timn.ho.ua/ccs/bsse.htm

Best regards
Tymofii


>Dear Nikolaienko,  
>
>Really thanks for your e-mail and help as I am confused of how to calculate
>the binding energy at the MP2 level. I think it would be a lot better for
>me if you show me how to calculate the binding energy at the MP2 level for,
>e.g., of the H2O-Na+ complex calculated in the attached file. 
>
>Thanking you in advance for your cooperation.
>
>Best regards,
>Adel El-Azhary