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FINITE-TEMPERATURE SIMULATION OF ABSORPTION SPECTRA IN SMALL ARGON-CLUSTER IONS${\rm Ar}_n^ + $(n=3, 4, 8, 13, AND 19)

Author

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  • M. GRIGOROV

    (Laboratoire de Physique Quantique-IRSAMC, Université Paul Sabatier, 118, route de Narbonne, 31062 Toulouse Cédex, France)

  • F. SPIEGELMANN

    (Laboratoire de Physique Quantique-IRSAMC, Université Paul Sabatier, 118, route de Narbonne, 31062 Toulouse Cédex, France)

Abstract

We report finite-temperature simulations of the absorption spectra of argon-cluster ions using a diatomics in molecules (DIM) Hamiltonian (including spin-orbit coupling) for the determination of the potential-energy surfaces (PES), a point-charge approximation for the dipole transition moments and a Metropolis Monte-Carlo algorithm for the nuclear motion. The dependency of the absorption spectrum on cluster size(3≤n≤19)and on temperature(100 K≤T≤500 K)is analyzed.

Suggested Citation

  • M. Grigorov & F. Spiegelmann, 1996. "FINITE-TEMPERATURE SIMULATION OF ABSORPTION SPECTRA IN SMALL ARGON-CLUSTER IONS${\rm Ar}_n^ + $(n=3, 4, 8, 13, AND 19)," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 3(01), pages 211-215.
  • Handle: RePEc:wsi:srlxxx:v:03:y:1996:i:01:n:s0218625x96000425
    DOI: 10.1142/S0218625X96000425
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