Bibliographic Details
| Title: |
Interatomic potentials of the heavy van der Waals dimer Hg2: A “test-bed” for theory-to-experiment agreement. |
| Authors: |
Krośnicki, M.1, Strojecki, M.2, Urbańczyk, T.3, Pashov, A.4, Koperski, J.3 ufkopers@cyf-kr.edu.pl |
| Source: |
Physics Reports. Aug2015, Vol. 591, p1-31. 31p. |
| Subjects: |
Interatomic angles, Van der Waals forces, Dimers, Mercury (Element), Energy levels (Quantum mechanics), Perturbation theory |
| Abstract: |
New ab initio and revisited experimental studies of the interatomic potentials of ungerade excited and ground electronic energy states of the heavy van der Waals (vdW) dimer Hg 2 were used as a “test-bed” for theory-to-experiment comparisons. Representations of the lowest excited- and ground-state Hg 2 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 Hg 2 . [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
