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Physical perspectives on the global optimization of atomic clusters
Jonathan P. K. Doye
in
Global Optimization: Scientific and Engineering Case Studies
(Nonconvex Optimization and Its Applications Series: Vol. 85),
ed. J.D. Pinter (Springer, 2006), pp. 103-139
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.
The full paper is available from
the Los Alamos preprint server.
The book is available from Springer.
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