An investigation of two approaches to basin hopping minimization for atomic and molecular clusters
Chemical Physics LettersPublished 1 June 1998
Ronald P. White, Howard R. Mayne
Citations63
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SJR score0.55
SNIP0.69
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Abstract
We have carried out potential energy minimization searches for atomic and molecular clusters using two variants of the basin hopping strategy. We find that the significant structures basin hopping (SSBH) performs better than the raw structures basin hopping (RSBH) when both use optimized step sizes. The SSBH was able to locate previously-identified global minima for (LJ)n (n=19, 30, 38) and (benzene)n (n=6, 10) The (benzene)14 cluster minimum presented here is a new result.
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Materials SciencePhysics and Astronomy
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