On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: The case of Prussian Blue

Title
On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: The case of Prussian Blue
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 128, Issue 4, Pages 044713
Publisher
AIP Publishing
Online
2008-01-30
DOI
10.1063/1.2824966

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