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Comparison of embedded atom method potentials for small aluminium cluster simulations
- Source :
- Budi, A., Henry, D.J. <
- Publication Year :
- 2009
-
Abstract
- In this paper, we present a comparison of the performance of a series of embedded atom method potentials for the evaluation of bulk and small aluminium cluster geometries and relative energies, against benchmark density functional theory calculations. In general, the non-pairwise potential-B (NP-B), which was parametrized against Al cluster data, performs the best.
Details
- Database :
- OAIster
- Journal :
- Budi, A., Henry, D.J. <
- Notes :
- English
- Publication Type :
- Electronic Resource
- Accession number :
- edsoai.ocn839868621
- Document Type :
- Electronic Resource