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Total interaction energy between two given two atomic species

Definition:

A given atomic species

B another atomic species

EC(AB)- electrostatic interaction energy between two atomic species

Eexc(AB)- electronic exchange energy between two atomic species

Reference:

  1. E. Clementi, Computational Aspects of Large Chemical Systems, Springer Verlag, New York, 1980.

 

 
   
 
   
University of Florida 2001.
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