Multipole polarizabilities and long-range interactions of the fluorine atom

J Chem Phys. 2009 Mar 28;130(12):124310. doi: 10.1063/1.3098320.

Abstract

The polarizabilities of the ground state of fluorine are determined by the box-based B-spline configuration-interaction method. The ground-state static and tensor polarizabilities are calculated as alpha(d) = 3.49a(0)(3) and alpha(2) = 0.303a(0)(3), respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F(2) molecules.