Convergence analysis of direct minimization and self-consistent iterations

@article{Cancs2021ConvergenceAO,
  title={Convergence analysis of direct minimization and self-consistent iterations},
  author={E. Canc{\`e}s and Gaspard Kemlin and A. Levitt},
  journal={SIAM J. Matrix Anal. Appl.},
  year={2021},
  volume={42},
  pages={243-274}
}
This article is concerned with the numerical solution of subspace optimization problems, consisting of minimizing a smooth functional over the set of orthogonal projectors of fixed rank. Such problems are encountered in particular in electronic structure calculation (Hartree-Fock and Kohn-Sham Density Functional Theory -DFT- models). We compare from a numerical analysis perspective two simple representatives, the damped self-consistent field (SCF) iterations and the gradient descent algorithm… Expand
2 Citations

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