Interatomic potentials of van der Waals dimers and : probing discrepancies between theory and experiment

2017
journal article
conference proceedings
dc.abstract.enResults 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.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiegopl
dc.conferenceXXIII International Conference on Spectral Line Shapes
dc.conference.cityToruń
dc.conference.countryPolska
dc.conference.datefinish2016-06-24
dc.conference.datestart2016-06-19
dc.conference.indexscopustrue
dc.conference.indexwostrue
dc.contributor.authorUrbańczyk, Tomasz - 103610 pl
dc.contributor.authorKrośnicki, M.pl
dc.contributor.authorStrojecki, M.pl
dc.contributor.authorPashov, A.pl
dc.contributor.authorKędziorski, A.pl
dc.contributor.authorŻuchowski, P.pl
dc.contributor.authorKoperski, Jarosław - 101922 pl
dc.date.accessioned2017-05-10T12:56:52Z
dc.date.available2017-05-10T12:56:52Z
dc.date.issued2017pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.conftypeinternationalpl
dc.description.number1pl
dc.description.versionostateczna wersja wydawcy
dc.description.volume810pl
dc.identifier.articleid012018pl
dc.identifier.doi10.1088/1742-6596/810/1/012018pl
dc.identifier.eissn1742-6596pl
dc.identifier.issn1742-6588pl
dc.identifier.projectROD UJ / Ppl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/40427
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa 3.0*
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/legalcode*
dc.scopuswos.indexingtakpl
dc.share.typeotwarte czasopismo
dc.subtypeConferenceProceedingspl
dc.titleInteratomic potentials of van der Waals dimers $Hg_{2}$ and $Cd_{2}$ : probing discrepancies between theory and experimentpl
dc.title.journalJournal of Physics. Conference Seriespl
dc.title.volumeXXIII International Conference on Spectral Line Shapes : 19-24 June 2016, Torun, Polandpl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.abstract.enpl
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}.
dc.affiliationpl
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
dc.conference
XXIII International Conference on Spectral Line Shapes
dc.conference.city
Toruń
dc.conference.country
Polska
dc.conference.datefinish
2016-06-24
dc.conference.datestart
2016-06-19
dc.conference.indexscopus
true
dc.conference.indexwos
true
dc.contributor.authorpl
Urbańczyk, Tomasz - 103610
dc.contributor.authorpl
Krośnicki, M.
dc.contributor.authorpl
Strojecki, M.
dc.contributor.authorpl
Pashov, A.
dc.contributor.authorpl
Kędziorski, A.
dc.contributor.authorpl
Żuchowski, P.
dc.contributor.authorpl
Koperski, Jarosław - 101922
dc.date.accessioned
2017-05-10T12:56:52Z
dc.date.available
2017-05-10T12:56:52Z
dc.date.issuedpl
2017
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.conftypepl
international
dc.description.numberpl
1
dc.description.version
ostateczna wersja wydawcy
dc.description.volumepl
810
dc.identifier.articleidpl
012018
dc.identifier.doipl
10.1088/1742-6596/810/1/012018
dc.identifier.eissnpl
1742-6596
dc.identifier.issnpl
1742-6588
dc.identifier.projectpl
ROD UJ / P
dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/40427
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights*
Udzielam licencji. Uznanie autorstwa 3.0
dc.rights.licence
CC-BY
dc.rights.uri*
http://creativecommons.org/licenses/by/3.0/legalcode
dc.scopuswos.indexingpl
tak
dc.share.type
otwarte czasopismo
dc.subtypepl
ConferenceProceedings
dc.titlepl
Interatomic potentials of van der Waals dimers $Hg_{2}$ and $Cd_{2}$ : probing discrepancies between theory and experiment
dc.title.journalpl
Journal of Physics. Conference Series
dc.title.volumepl
XXIII International Conference on Spectral Line Shapes : 19-24 June 2016, Torun, Poland
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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