Interatomic potentials of the heavy van der Waals dimer Hg2: A ‘‘test-bed’’ for theory-to-experiment agreement

New ab initio and revisited experimental studies of the interatomic potentials of ungerade excited and ground electronic energy states of the heavy nad der Waals dimer Hg₂ were used as a "test-bed" for theory-to-experiment comparisons. Reprsentations of the lowest excited- and ground-state Hg₂ interatomic potentials were proposed, by using a new analytical approach as well as by using an inverted perturbation approach (IPA). The comparison of the new ab-initio calculated potentials with the results of the analyses illustrates an improved theory-to-experiment agreement for demanding heavy systems such as Hg₂.