Analytical Evaluation of Third Virial Coefficient with Lennard-Jones (12-6) Potential and Its Applications

摘要

An efficient analytical method to evaluate the third virial coefficient with Lennard-Jones (12-6) type potential is presented. Proposed approach is particularly suitable for analysis of various properties of three body systems. To conform the correctness of the calculation result, a comparison is given with the literature for NO_2, SF_6 and C_2H_2 molecules. Calculation results show that obtained formulae provide higher accuracy and efficiency than the proposed approaches in literature.