The two-mode approximation for a Bose gas retains the real localized orbitals:
It is valid when the lowest doublet is well separated from higher energy levels, and the temperature and interaction-induced changes of the orbitals are small on that separation. More explicitly, if is the energy gap to discarded orbitals, sufficient low-energy conditions are , where . A deep double-well potential suppresses interwell interaction overlaps. Large alone does not justify the truncation: increasing at fixed coupling can violate the interaction condition.
Let and use the even and odd eigenfunctions to evaluate the projected one-particle Hamiltonian operator:
Thus
The same quantum tunnelling matrix element is . Reflection symmetry makes . Neglecting mixed contact interaction integrals leaves
The last step is the normal-ordered boson pair count, following from the canonical commutation relation. Consequently the two-site Bose-Hubbard model has precisely the requested coefficients
and
Here is the coefficient obtained by rewriting the fixed-particle number Hamiltonian operator, rather than an independently prescribed thermodynamic chemical potential. Adding a reservoir term would replace it by .
The negligible-overlap instruction applies to the mixed contact interaction integrals while the small quantum tunnelling matrix element is retained. Exactly disjoint smooth orbitals for a local would also give ; setting every overlap-related matrix element identically to zero would discard the physical splitting one is trying to describe.

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