A SemiSmooth Newton Method for Semidefinite Programs and its Applications in Electronic Structure Calculations

DOI10.1137/18M1188069zbMath1411.90257arXiv1708.08048MaRDI QIDQ4562340

Chao Yang, ZaiWen Wen, Ya-Xiang Yuan, Yongfeng Li

Publication date: 19 December 2018

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1708.08048

zbMATH Keywords

ADMM; semidefinite programming; semismooth Newton method; electronic structure calculation; two-body reduced density matrix

Mathematics Subject Classification ID

65F15: Numerical computation of eigenvalues and eigenvectors of matrices

90C22: Semidefinite programming

15A18: Eigenvalues, singular values, and eigenvectors

47J10: Nonlinear spectral theory, nonlinear eigenvalue problems

Uses Software

• SDPNAL+