Minimum-energy configurations of atomic clusters: new results obtained by simulated annealing

The classical potential energy surfaces for clusters of up to 25 atoms, interacting under two-body Lennard-Jones forces, have been searched for global minima using the simulated annealing method. This is a Monte Carlo technique which simulates a process of slow cooling in order to avoid trapping in...

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Bibliographic Details
Published in:Chemical physics letters 1987-01, Vol.133 (5), p.405-410
Main Author: Wille, L.T.
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Exotic atoms and molecules (containing mesons, muons, and other unusual particles)
Physics
Studies of special atoms, molecules and their ions
clusters
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Summary:The classical potential energy surfaces for clusters of up to 25 atoms, interacting under two-body Lennard-Jones forces, have been searched for global minima using the simulated annealing method. This is a Monte Carlo technique which simulates a process of slow cooling in order to avoid trapping in local minima. Two recently reported improvements over older work have been reproduced and a new minimum for 24 atoms has been found. The simulated annealing procedure yields low-lying energy states whose distribution depends on the cooling rate.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(87)87091-4