Re: CCL:energy decomposition method



One of the strong points of ADF (http://www.scm.com) is its energy decomposition analysis,
see also:

F.M. Bickelhaupt and E.J. Baerends,
"Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry"
In: Rev. Comput. Chem.; Lipkowitz, K. B. and Boyd, D. B., Eds.;
Wiley-VCH: New York, 2000, Vol. 15, 1-86.

On Tuesday, Nov 18, 2003, at 21:47 Europe/Amsterdam, Tapas Kar wrote:

Dear CCLers;
Would you please give me some information about energy decomposition
method and QM softwares for the energy decomposition analysis?
Thank you very much for your kind attention.

Yours,

Tommy Ohyun Kwon, Ph.D
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta Georgia, 30332
Email: ohyun.kwon^at^chemistry.gatech.edu



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