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

M. Grigorov and F. Spiegelmann
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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

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 211-215

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.

Date: 1996
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DOI: 10.1142/S0218625X96000425

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