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Investigation of intermolecular interactions based on the atomic statistical model
Authors:El bieta Radzio-Andzelm
Institution:Elżbieta Radzio-Andzelm
Abstract:Possibilities of improving individual contributions to the statistical interaction energy (kinetic and exchange) are examined. A new method of calculating statistical interaction energies is proposed. The exchange term is calculated using a suitably modified second-order gradient correction. For the kinetic contribution the accurate formula corresponding to the first-order perturbation theory is applied. The calculations have been carried out for several pairs of noble gas atoms.
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