Density matrix minimization with $\ell_1$ regularization
Mathematical Physics
2014-03-11 v1 math.MP
Numerical Analysis
Computational Physics
Abstract
We propose a convex variational principle to find sparse representation of low-lying eigenspace of symmetric matrices. In the context of electronic structure calculation, this corresponds to a sparse density matrix minimization algorithm with regularization. The minimization problem can be efficiently solved by a split Bergman iteration type algorithm. We further prove that from any initial condition, the algorithm converges to a minimizer of the variational principle.
Cite
@article{arxiv.1403.1525,
title = {Density matrix minimization with $\ell_1$ regularization},
author = {Rongjie Lai and Jianfeng Lu and Stanley Osher},
journal= {arXiv preprint arXiv:1403.1525},
year = {2014}
}
Comments
25 pages, 11 figures