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20132026
most citedParallelizable Algorithms for Optimization Problems with Orthogonality Constraints

62 citations · 90 across the 17 of their papers we have counts for

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physics.comp-ph2013

On the Convergence of the Self-Consistent Field Iteration in Kohn-Sham Density Functional Theory

Xin Liu, Xiao Wang, Zaiwen Wen +1

It is well known that the self-consistent field (SCF) iteration for solving the Kohn-Sham (KS) equation often fails to converge, yet there is no clear explanation. In this paper, w…