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...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser: Wales, D, Doye, J
Format: Journal article
Veröffentlicht: 1997