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...
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| Format: | Book section |
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Springer, Boston, MA
2006
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| _version_ | 1826281012932378624 |
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| author | Doye, J |
| author_facet | Doye, J |
| author_sort | Doye, J |
| collection | OXFORD |
| 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. |
| first_indexed | 2024-03-07T00:22:23Z |
| format | Book section |
| id | oxford-uuid:7d0141ab-bbdf-4f1f-a10c-e0965ef2e6ba |
| institution | University of Oxford |
| last_indexed | 2024-03-07T00:22:23Z |
| publishDate | 2006 |
| publisher | Springer, Boston, MA |
| record_format | dspace |
| spelling | oxford-uuid:7d0141ab-bbdf-4f1f-a10c-e0965ef2e6ba2022-03-26T21:00:32ZPhysical perspectives on the global optimization of atomic clustersBook sectionhttp://purl.org/coar/resource_type/c_3248uuid:7d0141ab-bbdf-4f1f-a10c-e0965ef2e6baSymplectic Elements at OxfordSpringer, Boston, MA2006Doye, JIn 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. |
| spellingShingle | Doye, J Physical perspectives on the global optimization of atomic clusters |
| title | Physical perspectives on the global optimization of atomic clusters |
| title_full | Physical perspectives on the global optimization of atomic clusters |
| title_fullStr | Physical perspectives on the global optimization of atomic clusters |
| title_full_unstemmed | Physical perspectives on the global optimization of atomic clusters |
| title_short | Physical perspectives on the global optimization of atomic clusters |
| title_sort | physical perspectives on the global optimization of atomic clusters |
| work_keys_str_mv | AT doyej physicalperspectivesontheglobaloptimizationofatomicclusters |