Investigation of intermolecular interactions based on the atomic statistical model

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.