English

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 1\ell_1 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.

Keywords

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

R2 v1 2026-06-22T03:21:46.596Z