Solutions to the Problems 69

Direct exchange contributions arise from abab and baba, e.g.,

The discussion is similar for the case u = u' =J-.

We find new Coulomb matrix elements if we turn to the case u # u'.
Takhg first 4 =t,u' =J-,let us notice that now we can choose all orbitals the
same, as in aaaa:

where the on-site Coulomb interaction

(2.154)

is usually called the Hubbard U. This time the 1/2 will be cancelled by an
identicd contribution from u =$, u' =t. We also find UfibtfiQ.
The remaining diagonal contributions are the intersite Coulomb interaction
+
terms Cab(fiatfib$ fia$fibt).
Off-diagonal exchange terms are coming from abab and baba. Taking the
first

where we identified citca$ = S$, and cilcbt = S, as the spin-flip operators.

Collecting such contributions, we find -Jab(Sa+S; +
SS
,' ;).
There remain 20 terms to account for. These describe the Coulomb-assisted
hopping of either one electron, or two electrons. Consider the aaab term

where
Xab = J J
dr
e2
dr'cp:(r)cpb(r)- lr - r'l I (Pa(r' I (2.157)
is the amplitude of the interaction-assisted single-electron hopping. Further 15
terms give similar contributions.
Finally, consider aabb