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The structural and electronic properties of () clusters

✍ Scribed by Y.H. Zhou; Z. Zeng; X. Ju


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
266 KB
Volume
40
Category
Article
ISSN
0026-2692

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All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w