Physical perspectives on the global optimization of atomic clusters

Physics – Condensed Matter

Scientific paper

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37 pages, 18 figures, chapter for forthcoming Kluwer book on global optimization

Scientific paper

In this chapter the physical aspects of the global optimization of the geometry of atomic clusters are elucidated. In particular, I examine the structural principles that determine the nature of the lowest-energy structure, the physical reasons why some clusters are especially difficult to optimize and how the basin-hopping transformation of the potential energy surface enables these difficult clusters to be optimized.

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