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Neaditivní mezimolekulární interakce
 Kovačovský, Ján ; Klimeš, Jiří (advisor) ; Žonda, Martin (referee)
Non-additive intermolecular interactions, involving three or more molecules, present a significant challenge in accurately predicting molecular behaviour and properties of materials. These interactions, characterized by their high-dimensional and unpredictable nature with molecular position, cannot be reliably estimated by simply summing pair- wise interactions between molecules. Incorporating three-body non-additive interactions into first-principles quantum mechanical approaches can greatly enhance agreement with experimental data, often achieving remarkable reductions in deviations. 1
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