as practiced in many circumstances [39]. However, at a more
pedantic regard, one may notice that 10Dq in LF formalism is a pure
one-electron quantity, while the orbital energies show, in fact,
effective one-electron nature, incorporating a mean-field of two electron
contributions (Coulomb and exchange), as stated in the
Kohn–Sham procedures.[2] From this perspective, one may question
the direct use of orbital gaps as a source for LF parameters.