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Comparison of the electron localization function and deformation electron density maps for selected earth materials

G V Gibbs1, D F Cox, N L Ross

  • 1Departments of Geosciences, Materials Science and Engineering, and Mathematics, Virginia Tech, Blacksburg, Virginia 24061, USA.

The Journal of Physical Chemistry. A
|July 15, 2006
PubMed
Summary

Electron localization function (ELF) mapping corresponds to deformation electron density maps for earth materials. This suggests a topological relationship between electron density, its Laplacian, and ELF.

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