Evolution of the potential energy surface with size for Lennard-Jones clusters

Disconnectivity graphs are used to characterize the potential energy surfaces of Lennard-Jones clusters containing 13, 19, 31, 38, 55, and 75 atoms. This set includes members which exhibit either one or two "funnels" whose low-energy regions may be dominated by a single deep minimum or con...

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Bibliographic Details
Main Authors: Doye, J, Miller, M, Wales, D
Format: Journal article
Language:English
Published: 1999