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Highest occupied molecular orbital (HOMO) energy

Definition:

HOMO - highest occupied molecular orbital

- Fock operator

Reference:

  1. I. G. Csizmadia, Theory and Practice of MO Calculations on Organic Molecules, Elsevier, Amsterdam, 1976.

  2. B.W. Clare, Theoret. Chim. Acta, 1994, 87, 415-430.

 

 
   
 
   
University of Florida 2001.
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