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math.OC2020★ 2 cited
Pactical Newton Methods for Electronic Structure Calculations
Xiaoying Dai, Liwei Zhang, Aihui Zhou
In this paper, we propose and analyze some practical Newton methods for electronic structure calculations. We show the convergence and the local quadratic convergence rate for the…
math.OC2019
Adaptive Step Size Strategy for Orthogonality Constrained Line Search Methods
Xiaoying Dai, Liwei Zhang, Aihui Zhou
In this paper, we propose an adaptive step size strategy for a class of line search methods for orthogonality constrained minimization problems, which avoids the classic backtracki…