most citedApplicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems

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cond-mat.mtrl-sci2017★ 23 cited

Applicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems

Yuzhi Zhou, Han Wang, Yu Liu +2

Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional t…