Oops, atoms.
We had a discussion on chemicalforums about the scandium to zinc group, and it was already a mess. By including the repulsion of electrons within a single orbital, plus some interaction among two shells, it was possible to reproduce more or less the filling sequence. But I doubt any prediction can be made for heavier atoms.
"QM reason"... The filling sequence resulting from repulsions, hence from geometric details, it won't be a simple consideration on quantum numbers.