Abstract

The potential response of a non-planar dielectric crystal surface to a fluctuating electronic charge density of admolecules is characterized using a discrete approach and quasi-static approximation. In this method, the multipolar response function of the ionic crystal is introduced from a general propagator of potential and the electric properties of the adsorbed molecules are described as the electric susceptibility. This allows us to obtain an iterative self-consistent determination of the long-range van der Waals interaction potential. The discrete description of the crystal matter takes into account the influence of the face specificity and adsorption sites of the substrate. The multipolar (electrostatic + induction) contribution and the quantum (dispersion) terms are determined for the dipolar and the quadrupolar moments of the molecule. A numerical application of each contribution is given for a xenon atom adsorbed on an MgO surface.

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