The Study Of Interaction Potentials And Two Different Combining Rules For Repulsive Potentials Of Li And Inert Gas Systems

Interaction potential plays important roles in various researches of many fields. It's also an important part of the study which faced on atomic and molecular collisions. Cause it's the basis of molecular and atom collision oscillation and rotation excited investigation. How to improve the way to calculate the interaction potential is very impotent for other studies.In this paper, we introduced the importance of the interaction potentials. In the following parts the general definitions and fundamental functions are described, and the developments and models of interactions potential are introduced, as well as the study of the alkali atom and inert gas atoms system's potential models. We considered the hypothesis that the short-range repulsive potential in van der Waals-type systems is proportional to the charge-density overlap integrals. The short-range repulsive potentials for different combinations of the alkali atom Li and inert gas atoms are estimated using two different combining rules procedure. The parameters for the full potentials for the alkali atom-inert gas systems which are calculated using the different two combining rules. Using Tang-Toennies models, the full potentials are calculated. Making the use of the methods mentioned above, we calculated the interaction potentials of alkali atom-inert gas system using Fortran programs created by ourselves. The parameters for the full potentials for the alkali atom-inert gas systems which are calculated using the C. Nytland and J. P. Toennies's combining rule and Xiewen's combining rule are both compared with the experiments. The values are compared and in reasonable agreement with the experiments. It shows that this hypothesis is shown to be accurate for interatomic interactions even for like or unlike systems. And also provide a simple way to calculate the potential for unlike systems. From that, we conclude that C. Nytland and J. P. Toennies's combining rule is the better one. With this combining rules the potential was calculated and in reasonable agreement with the experiments.