Global Optimization by Adiabatic Switching

International Journal of Molecular Sciences

Jagtar S. Hunjan¹ 

[1] School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, INDIA

关键词: Global optimization;    atomic clusters;    ground states;    adiabatic switching;   

DOI  :  10.3390/i3010030

来源: mdpi

【 摘 要 】

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 LJ_N and SC_N differ.

【 授权许可】

Unknown   
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