Study of the structure of molecular complexes. X. Dipole moment surface for the lithium-fluoride-water complex

Abstract

The dipole moment for 252 configurations of the Li-F-H2O complex has been computed using Hartree-Fock wavefunctions. The computed values are fitted with an analytical expression. The results clearly indicate that the water dipole moment, having the expected form of point charge-induced dipole moment, acts only as a relatively small perturbance on the dipole moment of the LiF ion pair. Copyright © 1975 American Institute of Physics.