AB-INITIO STUDY OF THE STATIC DIPOLE POLARIZABILITY OF NAPHTHALENE

An ab initio treatment of the molecular geometry and static dipole pol arizability for naphthalene in its electronic ground state is reported , using the coupled perturbative Hartree-Fock method. It is shown that the 6-31+G and the 6-311+G basis sets both give polarizability values that are in excellent agreement with the experimental values found fr om Stark spectroscopy and from measurements made in solution and in th e solid state. Electron correlation was treated using the MP2 approach , and we report that these correlation effects are negligible in the p olarizability calculation when using the HF/6-31G basis set.