Adiabatic polarization energy in a simple dense fluid

Itzhak Messing*, Joshua Jortner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

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.

Original languageEnglish
Pages (from-to)183-189
Number of pages7
JournalChemical Physics
Volume24
Issue number2
DOIs
StatePublished - 1 Sep 1977

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