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1998

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General Atomic Properties

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Tight-Binding Simulations Of Argon Cation Clusters, Guillermo A. Morales, Jessica Faulkner, Randall W. Hall Dec 1997

Tight-Binding Simulations Of Argon Cation Clusters, Guillermo A. Morales, Jessica Faulkner, Randall W. Hall

Randall W. Hall

A simple, semiempirical model was used to study the ground and excited stateproperties of argon cation clusters at 60 K. The model is a tight-binding Hamiltonian whose parameters are determined from atomic and diatomic properties.Monte Carlo simulations were used to calculate the average properties of these clusters. The photoabsorptionspectrum was in good agreement with previous calculations and experiments. The splitting of the photoabsorptionspectrum for clusters with greater than 14 atoms was investigated. The two excited states corresponding to the splitting arise from a 3-atom ion core, perturbed by a 4th atom, with solvation from the remaining atoms. The perturbation of …