Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

Self-interaction correction to density-functional approximations for many-electron systems

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Ernest R. Davidson · Journal of Computational Physics · 1975 · 2.5K citations

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