Physical perspectives on the global optimization of atomic clusters

Jonathan Doye

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Physical perspectives on the global optimization of atomic clusters

Jonathan Doye

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Abstract

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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Jonathan Doye. 2000-11-17. Physical perspectives on the global optimization of atomic clusters. https://arxiv.org/abs/cond-mat/0007338

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