- Abstract:
-
The 38-atom Lennard-Jones cluster has a paradigmatic double-funnel energy landscape. One funnel ends in the global minimum, a face-centered-cubic (fcc) truncated octahedron. At the bottom of the other funnel is the second lowest energy minimum which is an incomplete Mackay icosahedron. We characterize the energy landscape in two ways. First, from a large sample of minima and transition states we construct a disconnectivity graph showing which minima are connected below certain energy threshol...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1063/1.478595
-
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- Journal:
- JOURNAL OF CHEMICAL PHYSICS
- Volume:
- 110
- Issue:
- 14
- Pages:
- 6896-6906
- Publication date:
- 1999-04-08
- DOI:
- ISSN:
-
0021-9606
- URN:
-
uuid:c653a1f8-3357-49fd-8720-a7914615dcf9
- Source identifiers:
-
36911
- Local pid:
- pubs:36911
- Language:
- English
- Copyright date:
- 1999
Journal article
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
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