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Computer optimization of small atomic clusters

✍ Scribed by Eric C. M. Tang; Tong B. Tang


Publisher
Springer
Year
1993
Tongue
English
Weight
623 KB
Volume
28
Category
Article
ISSN
1434-6060

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The vibrational entropies of small clusters of atoms have been calculated for clusters of 13 to 87 atoms in both cubic and hexagonal close packed arrangements. The entropy per atom is not a monotonic function of the cluster size and shows a maximum around 40 atoms and a minimum in the range 50-80 at