https://doi.org/10.1140/epjd/e2003-00163-0
Static anisotropic and isotropic electric dipole polarizabilities of NanFn-1 clusters
1
Laboratoire de physique quantique (UMR 5626 du CNRS) , IRSAMC,
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
Corresponding authors: a gerard.durand@irsamc.ups-tlse.fr - b spiegel@irsamc.ups-tlse.fr - c allouche@lasim.univ-lyon1.fr
Received:
10
September
2002
Published online:
3
July
2003
Recently, electric susceptibilities of NanF
clusters have
been
measured by deflecting a molecular beam in an inhomogeneous electric
field. The analysis of the deflection of a cluster by the electric field
needs the calculation of the electric properties. We present the
calculation of the static anisotropic and average dipolar
polarizabilities within a model in which the NanF clusters
(
) are treated as one electron
embedded in the field of n ions Na+ and of 
ions F-.
The accuracy of the results is evaluated and discussed on small clusters
(
) in comparison with ab initio calculations. The
relationship between the polarizabilities, the electronic localization
and the geometric structure is discussed.
PACS: 31.15.Ar – Ab initio calculations / 61.72.Ji – Point defects (vacancies, interstitials, color centers, etc.) and defect clusters / 33.15.Kr – Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003
