DIPOLE-MOMENT DERIVATIVES AND INTEGRATED-INTENSITIES FOR THE VIBRATIONAL TRANSITIONS OF N-2-CENTER-DOT-CENTER-DOT-CENTER-DOT-HF

The integrated intensity of vibrational transitions depends on the mag nitude of the derivatives of the dipole with respect to nuclear motion . These derivatives are usually obtained by time-consuming ab initio c alculations. In this paper we apply a long-range model, based on distr ibuted schemes for describing the charge densities and polarizabilitie s of molecules, to the prediction of dipole derivatives and infrared i ntensities for the N-2...HF complex. The results are found to agree qu alitatively with full ab initio self-consistent field calculations. (C ) 1996 by John Wiley & Sons, Inc.