Symmetry adapted perturbation theory interaction potential models

The first chapter by Moszyliski presents in a systematic and comprehensive manner the current state-of-the-art theory of intermolecular interactions. Numerous examples illustrate how theoreticians and experimentalists working in tandem may gather valuable quantitative results related to intermolecular interactions, like accurate potential functions, interaction-induced properties, spectra and collisional characteristics or dielectric, refractive or thermodynamic properties of bulk phases. On the other hand the most advanced Symmetry Adapted Perturbation Theory (SAPT) enables validation of more approximate variation-pertubation models which could be applied to the analysis of specific interactions in much larger molecular systems, for example enzyme-drug interactions discussed in Chapter VIII by Berlicki et al. 

DFT modeling has also been applied to the interaction energy calculations between nucleotide base pairs in DNA. Hesselmann et al. [32] examined the interaction energy between purines and pyrimidines using MP2, CCSD(T), and DFT in combination with symmetry-adapted perturbation theory (SAPT). This study demonstrated agreement between the results produced by the three methods, demonstrating the potential for DFT modified with SAPT. 

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