TITLE

From clusters to bulk: A relativistic density functional investigation on a series of gold

AUTHOR(S)
Haberlen, Oliver D.; Sai-Cheong Chung
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p5189
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates a series of gold clusters spanning the size from Au[sub 6] through Au[sub 147] in icosahedral, octahedral and cuboctahedral structure by means of a scalar relativistic all-electron density functional method. Analysis of the convergence of cluster properties toward the corresponding bulk metal values.
ACCESSION #
4180973

 

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