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Interatomic potentials of van der Waals dimers Hg_{2} and Cd_{2} : probing discrepancies between theory and experiment
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Except where otherwise noted, this item's license is described as Udzielam licencji. Uznanie autorstwa 3.0
Interatomic potentials of van der Waals dimers Hg_{2} and Cd_{2} : probing discrepancies between theory and experiment
Bibliographic description
| title: | Interatomic potentials of van der Waals dimers Hg_{2} and Cd_{2} : probing discrepancies between theory and experiment |
| author: | Urbańczyk Tomasz  , Krośnicki M., Strojecki M., Pashov A., Kędziorski A., Żuchowski P., Koperski Jarosław
|
| journal title: | Journal of Physics. Conference Series |
| title of volume: | XXIII International Conference on Spectral Line Shapes : 19-24 June 2016, Torun, Poland |
| volume: | 810 |
| issue: | 1 |
| date of publication : | 2017 |
| article ID: | 012018 |
| ISSN: |
1742-6588 |
| eISSN: |
1742-6596 |
| DOI: | |
| language: | English |
| journal language: | English |
| abstract in English: | Results of new all-electron ab initio calculations and revisit of experimental studies of the interatomic potentials of lower-lying ungerade excited and ground electronic energy states of the Hg_{2} and Cd_{2} van der Waals complexes are used as probes of discrepancies between theory and experiment. From simulations of the previously and presently measured LIF excitation and dispersed emission spectra new analytical representations of the excited- and the ground-state interatomic potentials are proposed. An inverted perturbation approach was also used to improve the studied interatomic potentials. The comparison of the new ab-initio calculated potentials with the results of the analyses illustrates an improve theory-to-experiment agreement for such a demanding system like Hg_{2} or Cd_{2}. |
| conference: | XXIII International Conference on Spectral Line Shapes; 2016-06-19; 2016-06-24; Toruń; Polska; indeksowana w Web of Science; indeksowana w Scopus; ; |
| affiliation: | Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego |
| type: | journal article |
| subtype: | conference proceedings |
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Except where otherwise noted, this item's license is described as Udzielam licencji. Uznanie autorstwa 3.0
Projekt „Repozytorium otwartego dostępu do dorobku naukowego i dydaktycznego UJ” współfinansowany w ramach poddziałania 2.3.1 „Cyfrowe udostępnianie zasobów nauki” Programu Operacyjnego Polska Cyfrowa z Europejskiego Funduszu Rozwoju Regionalnego i budżetu państwa na podstawie umowy o dofinansowanie nr POPC.02.03.01-00-0030/17-00
