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

Autorzy / Authors: 
M. Krośnicki, M. Strojecki, T. Urbańczyk, A. Pashov, J. Koperski
Phys. Reports 591, 1-31
Tematyka badań: 
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