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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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Interatomic potentials of van der Waals dimers Hg_{2} and Cd_{2} : probing discrepancies between theory and experiment

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dc.contributor.author Urbańczyk, Tomasz [SAP14001109] pl
dc.contributor.author Krośnicki, M. pl
dc.contributor.author Strojecki, M. pl
dc.contributor.author Pashov, A. pl
dc.contributor.author Kędziorski, A. pl
dc.contributor.author Żuchowski, P. pl
dc.contributor.author Koperski, Jarosław [SAP11011879] pl
dc.date.accessioned 2017-05-10T12:56:52Z
dc.date.available 2017-05-10T12:56:52Z
dc.date.issued 2017 pl
dc.identifier.issn 1742-6588 pl
dc.identifier.uri http://ruj.uj.edu.pl/xmlui/handle/item/40427
dc.language eng pl
dc.rights Udzielam licencji. Uznanie autorstwa 3.0 *
dc.rights.uri http://creativecommons.org/licenses/by/3.0/legalcode *
dc.title Interatomic potentials of van der Waals dimers Hg_{2} and Cd_{2} : probing discrepancies between theory and experiment pl
dc.type JournalArticle pl
dc.abstract.en 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}. pl
dc.description.volume 810 pl
dc.description.number 1 pl
dc.description.conftype international pl
dc.identifier.doi 10.1088/1742-6596/810/1/012018 pl
dc.identifier.eissn 1742-6596 pl
dc.title.journal Journal of Physics. Conference Series pl
dc.title.volume XXIII International Conference on Spectral Line Shapes : 19-24 June 2016, Torun, Poland pl
dc.language.container eng pl
dc.affiliation Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego pl
dc.subtype ConferenceProceedings pl
dc.conference XXIII International Conference on Spectral Line Shapes; 2016-06-19; 2016-06-24; Toruń; Polska; indeksowana w Web of Science; indeksowana w Scopus; ; pl
dc.identifier.articleid 012018 pl
dc.rights.original CC-BY; otwarte czasopismo; ostateczna wersja wydawcy; w momencie opublikowania; 0 pl
dc.identifier.project ROD UJ / P pl


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Udzielam licencji. Uznanie autorstwa 3.0 Except where otherwise noted, this item's license is described as Udzielam licencji. Uznanie autorstwa 3.0