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A mapping of the electron localization function for earth materials

โœ Scribed by G. V. Gibbs; D. F. Cox; N. L. Ross; T. D. Crawford; J. B. Burt; K. M. Rosso

Publisher
Springer-Verlag
Year
2005
Tongue
English
Weight
688 KB
Volume
32
Category
Article
ISSN
0342-1791

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A modified version of the electron local
A modified version of the electron localization function (ELF)
โœ P. Fuentealba ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 208 KB ๐Ÿ‘ 2 views

Using some relationships derived from the density functional version of the virial theorem, an approximated kinetic energy density is constructed. This is used to ลฝ . implement a modified version of the electron localization function ELF . Its principal differences with the original ELF are that it