Construction of Maximally Localized Wannier Functions
arXiv:1609.05992 · doi:10.1007/s11467-016-0628-8
Abstract
We present a general method of constructing maximally localized Wannier functions. It consists of three steps: (1) picking a localized trial wave function, (2) performing a full band projection, and (3) orthonormalizing with the Lowdin method. Our method is capable of producing maximally localized Wannier functions without further minimization, and it can be applied straightforwardly to random potentials without using supercells. The effectiveness of our method is demonstrated for both simple bands and composite bands.
arXiv comment4 pages, 3 figures
References in corpus (5)
- Maximally-localized generalized Wannier functions for composite energy bands
- Cold bosonic atoms in optical lattices
- Maximally localized Wannier functions: Theory and applications
- Strongly interacting bosons in a disordered optical lattice
- Automated construction of maximally localized Wannier functions: Optimized projection functions method