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Global minima for transition metal clusters described by Sutton–Chen potentials
New Journal of Chemistry · 1998 · Vol. 22(7) · pp. 733–744
Jonathan P. K. Doye✉(Institute for Atomic and Molecular Physics)David J. Wales(University of Cambridge)
Abstract
Using a Monte Carlo minimization approach we report the global minima for metal clusters modelled by the Sutton–Chen family of potentials containing up to 80 atoms. The resulting structures are discussed in the light of both experimental and theoretical data for clusters of the appropriate elements.
Advanced Chemical Physics StudiesX-ray Diffraction in CrystallographyBoron and Carbon Nanomaterials ResearchMaxima and minimaChemistryChenMonte Carlo methodTransition metalStatistical physicsComputational chemistryChemical physicsPhysicsOrganic chemistry
Funding
- Nederlandse Organisatie voor Wetenschappelijk Onderzoek
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