Global Optimization by Adiabatic Switching

2002/02/11 by Jagtar Singh Hunjan, Hunjan, Jagtar S., Ramakrishna Ramaswamy +1
Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic and Molecular Clusters (physics.atm-clus) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Nuclear physics research studies #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.physics/0202032

openalex publication_date 2002/02/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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 LJ_N and SC_N differ.

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