Hubbard Dimer — Exact Diagonalization

Two-site Hubbard model: H = -t(c†₁c₂+h.c.) + U(n↑n↓). Exact diagonalization reveals how Coulomb repulsion U drives metal-to-Mott crossover. Ground state transitions from bonding orbital to Heitler-London singlet.

2.0
0.0
E_GS = - t
Double-occ D = -
⟨S₁·S₂⟩ = -
ΔE (gap) = - t