Physical perspectives on the global optimization of atomic clusters
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...
| Autore principale: | |
|---|---|
| Natura: | Book section |
| Pubblicazione: |
Springer, Boston, MA
2006
|
| Riassunto: | 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. |
|---|