Direct Coulomb exchange versus kinetic exchange (source code)

= Direct Coulomb exchange versus kinetic exchange

A direct intersite Coulomb exchange integral acts without an intermediate doubly occupied state. In a repulsive one-band <Hubbard model>, by contrast, virtual hopping into a doubly occupied state lowers the singlet <energy> by $4t^2/U$ relative to the triplet. The latter is antiferromagnetic kinetic exchange, even when hopping is directly between neighbouring magnetic orbitals. Ligand-mediated <superexchange> introduces an intermediate ligand orbital as well.