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

Abstract: 

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
Czasopismo: 
Physics Reports 591, 1-31
Rok: 
2015
Tematyka badań: 
Spektroskopia cząsteczek