DENSITY MATRIX MINIMIZATION WITH l(1) REGULARIZATION

作者:Lai Rongjie*; Lu Jianfeng; Osher Stanley
来源:Communications in Mathematical Sciences, 2015, 13(8): 2097-2117.
DOI:10.4310/CMS.2015.v13.n8.a6

摘要

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 l(1) regularization. The minimization problem can be efficiently solved by a split Bregman iteration type algorithm. We further prove that from any initial condition, the algorithm converges to a minimizer of the variational principle.

  • 出版日期2015