Hunjan, Jagtar S. ; Ramaswamy, R. (2002) Global optimization by adiabatic switching International Journal of Molecular Sciences, 3 (1). pp. 30-37. ISSN 1422-0067
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Official URL: http://www.mdpi.com/1422-0067/3/1/30
Related URL: http://dx.doi.org/10.3390/i3010030
Abstract
We apply a recently introduced method for global optimization to determine the ground state energy and configuration for model metallic clusters. The global minimum for a given N–atom cluster is found by following the damped dynamics of the N particle system on an evolving potential energy surface. In this application, the time dependent interatomic potential interpolates adiabatically between the Lennard–Jones (LJ) and the Sutton–Chen (SC) forms. Starting with an ensemble of initial conditions corresponding to the ground state configuration of the Lennard–Jones cluster, the system asymptotically reaches the ground state of the Sutton–Chen cluster. We describe the method and present results for specific cluster size N = 15, when the ground state symmetry of LJN and SCN differ.
Item Type: | Article |
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Source: | Copyright of this article belongs to Molecular Diversity Preservation International. |
Keywords: | Global Optimization; Atomic Clusters; Ground States; Adiabatic Switching |
ID Code: | 98875 |
Deposited On: | 26 May 2015 12:03 |
Last Modified: | 19 May 2016 10:47 |
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