Journal article
Evolution of the potential energy surface with size for Lennard-Jones clusters
- Abstract:
-
Disconnectivity graphs are used to characterize the potential energy surfaces of Lennard-Jones clusters containing 13, 19, 31, 38, 55, and 75 atoms. This set includes members which exhibit either one or two "funnels" whose low-energy regions may be dominated by a single deep minimum or contain a number of competing structures. The graphs evolve in size due to these specific size effects and an exponential increase in the number of local minima with the number of atoms. To combat the vast numb...
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- Publication status:
- Published
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- Publisher copy:
- 10.1063/1.480217
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Bibliographic Details
- Journal:
- JOURNAL OF CHEMICAL PHYSICS
- Volume:
- 111
- Issue:
- 18
- Pages:
- 8417-8428
- Publication date:
- 1999-11-08
- DOI:
- ISSN:
-
0021-9606
- Source identifiers:
-
37223
Item Description
- Language:
- English
- Pubs id:
-
pubs:37223
- UUID:
-
uuid:f90dae86-0991-4083-9176-1ff0673f7d42
- Local pid:
- pubs:37223
- Deposit date:
- 2012-12-19
Terms of use
- Copyright date:
- 1999
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