Ligand filed stabilization energy

A plausible way out of this situation has been proposed by R. Deeth ([60] and references therein). In order to handle quantum behavior of the 7-shell he suggested adding the ligand filed stabilization energy (LFSE) term to the MM energy eq. (2.124). The LFSE in [60] is taken as a sum of the orbital energies of the 7-orbitals, calculated in the angular overlap approximation (AOM - see Section 2.4.2.1)... 

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