Concepedia

The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

Michiel J. van Setten, Matteo Giantomassi, Éric Bousquet, Matthieu J. Verstraete, D. R. Hamann, Xavier Gonze, Gian‐Marco Rignanese

Computer Physics Communications · 2018 · 2.1K citations · 31 references

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31

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

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Self-Consistent Equations Including Exchange and Correlation Effects

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

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Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

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