Static anisotropic and isotropic electric dipole polarizabilities of Na n F n-1 clusters |
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| Authors: | G. Durand F. Spiegelman A. R. Allouche |
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| Affiliation: | (1) Laboratoire de physique quantique, IRSAMC, UMR 5626 du CNRS, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, France;(2) Laboratoire de Spectrométrie Ionique et Moléculaire, UMR 5579 du CNRS, bâtiment A. Kastler, Université Lyon I, 43 boulevard du 11 novembre 1918, 69622 Villeurbanne Cedex, France |
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| Abstract: | Recently, electric susceptibilities ofNanFn-1 clustershave been measured by deflecting a molecular beam in aninhomogeneous electric field. The analysis of the deflection ofa cluster by the electric field needs the calculation of theelectric properties. We present the calculation of the staticanisotropic and average dipolar polarizabilities within a modelin which theNanFn-1 clusters (2  n 23)are treated as one electron embedded in the field ofn ionsNa+ and of n - 1ions F-. The accuracy of the resultsis evaluated and discussed on small clusters (n 5)in comparison with ab initiocalculations. The relationship between the polarizabilities, theelectronic localization and the geometric structure isdiscussed. Received 10 September 2002 Published online 3 July2003 |
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| Keywords: | 31.15.Ar Ab initio calculations 61.72.Ji Point defects (vacancies, interstitials, colorcenters, etc.) and defect clusters 33.15.Kr Electric and magnetic moments (andderivatives), polarizability, and magneticsusceptibility |
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