An interatomic potential for Ne2 derived from solid state data

Two sets of parameters for the Morse part of a Morse-Spline-van der Waals (MSV) interatomic potential appropriate to Ne₂ have been derived using solid state data. The first assumes pairwise additivity of the interatomic potential, while the second assumes that the nonpairwise additivity can be approximated by the Axilrod-Teller-Muto three-body force. The second potential appears to be in better agreement with recent high-precision, low-temperature heat-capacity measurements on solid Ne.Issued as NRCC # 13328.Work supported by the Deutchesforsgemeinschaft.