ABINITIO STATIC POLARIZABILITIES AND MULTIPOLE MOMENTS OF I2

Ab initio calculations incorporating the effects of electron correlation are reported for the quadrupole and hexadecapole moments, and the static dipole polarizability of I2. The calculations are based on finite-field, fourth-order, many-body perturbation theory. Coupled self-consistent-field calculations of the dependence of these properties on the bond length, and of some higher static polarizabilities are also reported. A small discrepancy is found between our calculated dipole polarizability anisotropy and a value measured by laser assisted molecular beam spectroscopy.