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Tetrahedral global minimum for the 98-atom Lennard-Jones cluster.

Abstract:

An unusual atomic cluster structure corresponding to the global minimum of the 98-atom Lennard-Jones cluster has been found using a variant of the basin-hopping global optimization algorithm. The structure has tetrahedral symmetry and an energy of -543.665 361 epsilon, which is 0.022 404 epsilon lower than the previous lowest-energy minimum. The LJ(98) structure is of particular interest because its tetrahedral symmetry establishes it as one of only three types of exception to the general pat...

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Publication status:
Published

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Publisher copy:
10.1103/physreve.60.r6320

Authors


Journal:
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
Volume:
60
Issue:
6 Pt A
Pages:
R6320-R6322
Publication date:
1999-12-05
DOI:
EISSN:
1095-3787
ISSN:
1063-651X
URN:
uuid:e8feadcc-93f9-43fd-b79a-747d3f8fcba4
Source identifiers:
37269
Local pid:
pubs:37269
Language:
English

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