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.