Subject: Basic Water Dimer Question

From: Yongxing Liu <[email-masked]>
Date: Tue, 13 Oct 1998 15:04:17 -0400 (EDT)

Dear CCLers,

Would any one please help with the following question?

Is it possible to calculate water dimer interaction energy without
calculating the monomer? This is a prototype question for a real problem.
Say we have two boxes of classical particles. we may calulate their
interactions bewtween these two boxes without calulating the energy of each
box. Let's look water dimer as two boxes of clouds(divided by population
analysis). There should be a way to do this using QM. Its just a degree of
accuracy. I do not have much experience with QM, please help!

Thanks a lot in advance. 

Sincerely    
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Yongxing Liu, Graduate Student | E-Mail: [email-masked]
Department of Chemistry        | Tel.:860-685-2777 
Wesleyan University            | Fax: 860-685-2211 
Middletown CT 06459            | URL: http://ludwig.chem.wesleyan.edu/yliu
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