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Adiabatic polarization energy in a simple dense fluid
Authors:Itzhak Messing  Joshua Jortner
Institution:Department of Chemistry, Tel-Aviv University, Tel Aviv, Israel
Abstract:In this note we prey300505 sent the results of a calculation of the adiabatic electrostatic polarization energy, P+, of Xe+ in fluid Ar over the density range 0.1–1.4 g cm?3. P+ was expressed in terms of Lekner's screening function which, within the framework of the Kirkwood approximation, is determined by the (neutral) solute-solvent and the solvent-solvent pair correlation functions. The density dependence of P+ can be quite well approximated (within ≈10%) by the Born charging energy with the effective ionic radius being identified with the effective hard-core diameter for the (neutral) solute-solvent separation. The P+ data, together with experimental spectroscope results for the density dependence of the ionization potential of Xe and of CH3I, result in preliminary information concerning the ground state energy of the quasi-free electron in fluid Ar over a wide density range.
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