Additive Model of Gresh, Claverie and Pullman

In contrast to the pair potential model where the interaction energy hypersurface is approximated by an additive procedure using a simple mathematical function, the basis of the model of Gresh et. al. is an energy partitioning scheme. [Pg.71]

ECOu s electrostatic interaction energy as calculated on the basis of the charge distribution of the isolated host and guest. [Pg.72]

the exchange energy, is a repulsive contribution due to the overlap of the electron densities of host and guest. [Pg.72]

EP0I is the polarization energy which is a stabilizing term due to the relaxation of the electron density of host and guest in the field of the partner. [Pg.72]

sp is the dispersion energy which is due to the correlation of electron movements of host and guest. [Pg.72]

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