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Correlation between structures, ionization potentials and chemical reactivities of niobium clusters

✍ Scribed by Jijun Zhao; Xiaoshuang Chen; Guanghou Wang

Book ID
107987361
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
368 KB
Volume
214
Category
Article
ISSN
0375-9601

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Structures and energetics of Nb clusters are studied using a many-body potential based on the tight binding formulation and molecular dynamics simulations. Local and global minima are searched using steepest descent and conjugate gradient methods. Sequences of minima are thus ordered by energy revea