Compressed Wannier modes found from an $L_1$ regularized energy functional
Materials Science
2014-03-28 v1 Mathematical Physics
math.MP
Quantum Physics
Abstract
We propose a method for calculating Wannier functions of periodic solids directly from a modified variational principle for the energy, subject to the requirement that the Wannier functions are orthogonal to all their translations ("shift-orthogonality"). Localization is achieved by adding an regularization term to the energy functional. This approach results in "compressed" Wannier modes with compact support, where one parameter controls the trade-off between the accuracy of the total energy and the size of the support of the Wannier modes. Efficient algorithms for shift-orthogonalization and solution of the variational minimization problem are demonstrated.
Cite
@article{arxiv.1403.6883,
title = {Compressed Wannier modes found from an $L_1$ regularized energy functional},
author = {Farzin Barekat and Ke Yin and Russel E. Caflisch and Stanley J. Osher and Rongjie Lai and Vidvuds Ozolins},
journal= {arXiv preprint arXiv:1403.6883},
year = {2014}
}
Comments
5 pages, 3 figures