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Energetics and electronic structure of silver chloride

✍ Scribed by Kirchhoff, F.; Holender, J.; Gillan, M.


Book ID
115452930
Publisher
The American Physical Society
Year
1994
Tongue
English
Weight
514 KB
Volume
49
Category
Article
ISSN
1098-0121

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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