Density-functional theory calculations for poly-atomic systems: electronic 
structure, static and elastic properties and ab initio molecular dynamics

Bockstedte, Michel; Kley, Alexander; Neugebauer, Jörg; Scheffler, Matthias

doi:10.1016/S0010-4655(97)00117-3

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Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

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Bockstedte, Michel
Theory, Fritz Haber Institute, Max Planck Society;

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Kley, Alexander
Theory, Fritz Haber Institute, Max Planck Society;

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Neugebauer, Jörg
Theory, Fritz Haber Institute, Max Planck Society;

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Scheffler, Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Bockstedte, M., Kley, A., Neugebauer, J., & Scheffler, M. (1997). Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics. Computer Physics Communications, 107(1-3), 187-222. doi:10.1016/S0010-4655(97)00117-3.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-1F09-B

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