Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters
We have developed a method to search potential energy surfaces which avoids some of the difficulties associated with trapping in local minima. Steps are directly taken between minima using eigenvector-following. Exploration of this space by low temperature Metropolis Monte Carlo is a useful global o...
Main Authors: | Doye, J, Wales, D |
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Format: | Conference item |
Published: |
1997
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