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Nuclear repulsion energy between two given atoms

Definition:

A given atomic species

B another atomic species

ZA - charge of atomic nucleus, A

ZB - charge of atomic nucleus, B

RiB - distance between the atomic nuclei, A and B

Reference:

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

 

 
       
       
   
 
   
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