DFT study of the structural and electron
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G. AndrΓ©s Cisneros; Miguel Castro; Dennis R. Salahub
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Article
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1999
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John Wiley and Sons
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English
β 613 KB
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