Concepedia

High-pressure phase transformations of FeS: Novel phases at conditions of planetary cores

Shigeaki Ono, Artem R. Oganov, John P. Brodholt, Lidunka Vočadlo, Ian G. Wood, Andriy O. Lyakhov, Colin W. Glass, A. Côté, G. D. Price

Earth and Planetary Science Letters · 2008 · 60 citations · 43 references

DOI

Concepts

References

43

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

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Projector augmented-wave method

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

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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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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

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