COMPARATIVE-STUDY OF GORDON-KIM INTER-ATOMIC POTENTIAL THEORY VARIANTS - APPLICATION TO THE INERT-GASES AND MERCURY

Several variants of the Gordon-Kim method are tested by comparing the calculated interatomic potentials of homonuclear inert-gas atoms with experiment. It is concluded that two variants, the first due to Lloyd and Pugh and the second to Clugston, both of which use the dispersion series at long range, are the most reliable. These two methods are used to predict the parameters of the Hg2 potential and it is found that, in contrast to the inert gases, the two sets of prediction are significantly different. © 1979.