I wonder if and how when considering MO theory, we are accounting for the electrostatic interaction / repulsion between electrons on the metal and the ligand. It seems like MO assumes pure covalency, so why is this necessarily more accurate than crystal field?

I am primarily looking for a quantum mechanical explanation of what is accounted for when MOs are being constructed, but any suggestion or indication of the right direction would be great. Thank you!

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    $\begingroup$ I guess you're thinking about Ligand field theory not MO in general? $\endgroup$ – Mithoron Feb 8 '17 at 1:33
  • $\begingroup$ @Mithoron Yes, that's right! $\endgroup$ – GingerBadger Feb 12 '17 at 0:09

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