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Importance of Accurate Dynamic Polarizabilities for the Ionic Dispersion Interactions of Alkali Halides

Parsons, Drew; Ninham, Barry

Description

Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide ions are performed as a function of imaginary frequency. Electron correlation is shown to provide a significant correction to ionic polarizabilities. Ab initio ion-surface dispersion coefficients are compared, with single- and multimode London approximations. The commonly employed single-mode model with the characteristic frequency taken from the ionization potential of the ion is shown to be...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/54219
Source: Langmuir
DOI: 10.1021/la902533x

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