Use for the six printed basis vectors. The three singly occupied triplets are
Each has energy zero: either Pauli exclusion prevents hopping to double occupancy or the two contributions cancel. Define
The state has energy . In the subspace the Hamiltonian is , with
For , the fourth low-energy eigenstate is the normalized singlet
where . Its energy is
The four lowest energies are to leading order, with the singlet and triplets just given. The upper pair lie near and .
The low-energy Hamiltonian can be written
using dimensionless spin-half operators. It places the singlet below the triplet by , hence favors antiferromagnetic alignment. A lattice of such bonds can support antiferromagnetism, although its ordering pattern also depends on geometry and competing couplings. The physical energy gain comes from virtual charge fluctuations, not from a permanent double occupancy in the large- limit.
Figure 1.
Exact singlet-triplet spectrum of the two-site repulsive Hubbard model and the large-U exchange scale
. Details.

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