Nonadiabatic and Born–Oppenheimer calculations of the polarizabilites of LiH and LiD

Abstract

We present fully nonadiabatic as well as Born–Oppenheimer calculations of the dipole moments and static polarizabilites of LiH and LiD. The nonadiabatic calculations are done in a basis of explicitly correlated gaussian functions. The electronic Born–Oppenheimer values are corrected for vibrational contributions using the numerical Numerov–Cooley method including all orders of anharmonicity. A comparison between the two methods does not suggest any substantial disagreement in absolute values or the isotopic differences of the calculated properties.