Abstract
An ab initio value of the polarizability of the F- ion in the LiF crystal has been found by coupled Hartree-Fock theory with Møller-Plesset correlation corrections. The calculation separates the effects on the polarizability of the electrostatic crystal field and overlap with the six nearest Li+ neighbours. We find α = 0·92 Å3, in excellent agreement with experiment. The correlation contribution is very sensitive to the crystal environment.