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The energy optimized configurations of Be18 and Be20 clusters and the effect of He atom in these clusters

✍ Scribed by Hiroshi Kato; Kimihiko Hirao; Hiroyuki Teramae


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
543 KB
Volume
86
Category
Article
ISSN
0301-0104

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The lowest energy equilibrium structures for Lennard -Jones alloy clusters are obtained by means of simulated annealing techniques within the Langevin molecular dynamics formalism. By adjusting the sizes of and the interaction between like and unlike species in the potential energy functional form,