We derive ab initio local Hubbard models for several optical-lattice potentials of current interest, including the honeycomb and kagome lattices, verifying their accuracy on each occasion by comparing the interpolated band structures against the originals. To achieve this, we calculate the maximally localized generalized Wannier basis by implementing the steepest-descent algorithm of Marzari and Vanderbilt directly in one and two dimensions. To avoid local minima we develop an initialization procedure that is both robust and requires no prior knowledge of the optimal Wannier basis.
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - 10 Apr 2013|