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http://hdl.handle.net/1942/43071
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DC Field | Value | Language |
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dc.contributor.author | Osika, Yuliya | - |
dc.contributor.author | MENIAILAVA, Darya | - |
dc.contributor.author | Shundalau, Maksim | - |
dc.date.accessioned | 2024-06-07T09:03:12Z | - |
dc.date.available | 2024-06-07T09:03:12Z | - |
dc.date.issued | 2024 | - |
dc.date.submitted | 2024-06-07T08:53:18Z | - |
dc.identifier.citation | JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 321 (Art N° 108996) | - |
dc.identifier.uri | http://hdl.handle.net/1942/43071 | - |
dc.description.abstract | The KFr diatomic molecule represents a promising candidate for photoassociation and indirect laser cooling. It has not yet been investigated experimentally and remains the only representative of the family of alkali-metal diatomics, which is scarcely researched theoretically. The potential energy curves of the states belonging to the three lowest dissociation limits of the KFr molecule are calculated using the Fock-space relativistic coupled cluster theory for the first time. Properties and parameters, such as electronic term energies, equilibrium internuclear distances, transition and permanent dipole moments, sequences of vibrational energies, harmonic vibrational frequencies, Franck-Condon factors, and radiative lifetimes (including bound and free transitions), are predicted. We analyzed and evaluated the probabilities of the two-step schemes (optical cycles) for the transfer process of the KFr molecules from excited vibronic states to the ground vibronic state. The transport properties (diffusion, viscosity, and thermal conductivity coefficients) of two-component dilute gas media of potassium and francium atoms as functions of the translation temperature up to 3000 K are also calculated. The data obtained would be useful for laser cooling and spectral experiments with KFr molecules. | - |
dc.description.sponsorship | This work was supported by Horizon Europe FLORIN (Project No. 101086142) and the Belarusian State Scientific Research Program "Convergence-2025″. | - |
dc.language.iso | en | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.rights | 2024 Elsevier Ltd. All rights reserved. | - |
dc.subject.other | Fock-space coupled cluster calculations | - |
dc.subject.other | Potassium - francium kfr molecule | - |
dc.subject.other | Potential energy curves | - |
dc.subject.other | Radiative lifetimes | - |
dc.subject.other | Optical cycles | - |
dc.subject.other | Transport properties | - |
dc.title | Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule and modeling of the transport properties of potassium-francium dilute gas medium | - |
dc.type | Journal Contribution | - |
dc.identifier.volume | 321 | - |
local.format.pages | 8 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Shundalau, M (corresponding author), Univ Salerno, Dept Informat & Elect Engn & Appl Math, Fisciano, Italy. | - |
dc.description.notes | mshundalau@unisa.it | - |
local.publisher.place | THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
local.bibliographicCitation.artnr | 108996 | - |
local.type.programme | horizonEurope | - |
dc.identifier.doi | 10.1016/j.jqsrt.2024.108996 | - |
dc.identifier.isi | 001224694800001 | - |
local.provider.type | wosris | - |
local.description.affiliation | [Osika, Yuliya] Belarusian State Univ, Fac Phys, Minsk, BELARUS. | - |
local.description.affiliation | [Meniailava, Darya] Hasselt Univ, Inst Mat Res, Diepenbeek, Belgium. | - |
local.description.affiliation | [Shundalau, Maksim] Univ Salerno, Dept Informat & Elect Engn & Appl Math, Fisciano, Italy. | - |
local.uhasselt.international | yes | - |
local.relation.horizonEurope | 101086142 | - |
item.fulltext | With Fulltext | - |
item.accessRights | Restricted Access | - |
item.fullcitation | Osika, Yuliya; MENIAILAVA, Darya & Shundalau, Maksim (2024) Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule and modeling of the transport properties of potassium-francium dilute gas medium. In: JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 321 (Art N° 108996). | - |
item.contributor | Osika, Yuliya | - |
item.contributor | MENIAILAVA, Darya | - |
item.contributor | Shundalau, Maksim | - |
crisitem.journal.issn | 0022-4073 | - |
crisitem.journal.eissn | 1879-1352 | - |
Appears in Collections: | Research publications |
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Relativistic coupled cluster study on the spectroscopic and radiative. pdf.pdf Restricted Access | Published version | 3.25 MB | Adobe PDF | View/Open Request a copy |
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