Energetics, structure and excess electro
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H. HΓ€kkinen; R.N. Barnett; Uzi Landman
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Article
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1995
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Elsevier Science
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English
β 756 KB
The structure and energetics of stoichiometric (NaCl)n, 1 ~< n ~< 4, clusters, and of halide-deficient clusters in the sequence Na4Clm, 0 ~< m ~< 3, are studied using local-spin-density functional calculations, with and without exchange-correlation gradient corrections. The energy optimized structur