Concepedia

Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study

Shiwei Wu, Matt Kramer, X. Fang, Songyou Wang, C.Z. Wang, K. M. Ho, Zejun Ding, L.Y. Chen

Intermetallics · 2012 · 20 citations · 25 references

DOI

Concepts

References

25

Projector augmented-wave method

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

, , +17

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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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

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

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

, , +17

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

, , +14