Concepedia

Ab initio interionic potentials for UN by multiple lattice inversion

P.H. Chen, Xingli Wang, Xinchun Lai, G. Li, Bingyun Ao, Youwen Long

Journal of Nuclear Materials · 2010 · 10 citations · 17 references

DOI

Concepts

References

17

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

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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

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Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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