Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms

We describe a global optimization technique using "basin-hopping" in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features that recent work suggests must be present in an energy landscape fo...

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Autors principals: Wales, D, Doye, J
Format: Journal article
Publicat: 1997