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We discuss a method for constructing generalized Wannier functions that aremaximally localized at the minima of a one-dimensional periodic potential witha double-well per unit cell. By following the approach of (Marzari M andVanderbilt D 1997 Phys. Rev. B 56, 12847), we consider a set of band-mixingWannier functions with minimal spread, and design a specific two-step gaugetransformation of the Bloch functions for a composite two band system. Thismethod is suited to efficiently compute the tight-binding coefficients neededfor mapping the continuous system to a discrete lattice model. Their behaviouris analyzed here as a function of the symmetry properties of the double-well(including the possibility of parity-breaking), in a range of feasibleexperimental parameters.

Maximally localized Wannier functions for ultracold atoms in one-dimensional double-well periodic potentials