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HomeKey Engineering MaterialsKey Engineering Materials Vol. 227The Role of Ab Initio Electronic Structure...

The Role of Ab Initio Electronic Structure Calculations in Contemporary Materials Science

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Modeling of Materials

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Periodical:

Key Engineering Materials (Volume 227)

Pages:

261-0

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.227.261

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Online since:

August 2002

Authors:

Mojmír Šob, M. Friák, L.G. Wang, V. Vitek

Keywords:

Ab Initio Calculation, Electronic Structure, Magnetic Phase Transition, Semiempirical Interatomic Potentials, Theoretical Tensile Strength

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© 2002 Trans Tech Publications Ltd. All Rights Reserved

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