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Average ionization energy

Definition:

 

 p(r) - electron density of the ith molecular orbital at the point r

 i - ith molecular orbital energy

Reference:

  1. T. Brinck, J. S. Murray, P. Politzer, Int. J. Quant. Chem., 1993, 48, 73-88.

 

 
   
 
   
University of Florida 2001.
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