Physical perspectives on the global optimization of atomic clusters
Abstract
Description
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.
37 pages, 18 figures, chapter for forthcoming Kluwer book on global optimization
37 pages, 18 figures, chapter for forthcoming Kluwer book on global optimization