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 ?d =3.49 a 0 3 and ?2 =0.303 a0 3, respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F2 molecules. � 2009 American Institute of Physics.
|Journal||Journal of Chemical Physics|
|Publication status||Published - 2009|