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Density Functional Calculations of Pd Nanoparticles Using a Plane-Wave Method †

✍ Scribed by Viñes, Francesc; Illas, Francesc; Neyman, Konstantin M.


Book ID
126042487
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
329 KB
Volume
112
Category
Article
ISSN
1089-5639

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## Abstract Energy bands of VO are calculated by the augmented‐plane‐wave and Green's function methods. The results of calculations with different potentials are compared. The physical causes for differences in the bands are discussed.