XC AND HFD-B POTENTIAL-ENERGY CURVES FOR XE-XE AND RELATED PHYSICAL-PROPERTIES

The XC (exchange-Coulomb) and the HFD (Hartree-Fock-dispersion) potential models for the interaction of two closed shell atoms are reviewed briefly. It is shown that while the original XC potential model (XC-1) does not lead to an optimal potential for the Xe-Xe interaction, two variants, XC-2 and XC-3, do lead to optimal interaction energies for this interaction as a function of the interatomic distance R. The three XC potentials, two HFD-B type potentials, and three other literature potentials are compared with respect to their predictive ability for various microscopic and (dilute gas) macroscopic properties of Xe. One of the HFD-B potentials, developed here, is a modification of the original HFD-B potential for Xe-Xe and this HFD-B2 potential, and the XC-3 potential, are apparently the most reliable representations of the two-body Xe-Xe interaction available. The two-bodypotentials are also used to help discuss the problems associated with the representation of many-body interactions in rare gas systems. © 1990.