Abstract
The effects of intermolecular interactions on the second-order susceptibilities (χ(2)) of molecular crystals are studied by using a semiempirical quantum–chemical method. These effects are discussed on the basis of the super-molecular approach. The influence of the electrostatic interactions between adjacent unit cells on the tensor components of χ(2) was modeled by using the technique of cumulative atomic multipole moments (CAMMs).
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