QUANTUM DYNAMICS OF THE He + Li2 INELASTIC SCATTERING

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dc.contributor.authorAkpinar, Sinan
dc.contributor.authorTurmus, Tunay
dc.contributor.authorSurucu, Seda
dc.date.accessioned2026-08-12T16:35:40Z
dc.date.issued2011
dc.departmentFırat Üniversitesi
dc.description.abstractIn this paper, we report the results of three dimensional time dependent quantum wave packet calculations carried out for He+Li-2 inelastic reaction in the collision energy range 0.43 1.18 eV. A three dimensional potential energy surface (PES) computed by Varandas was used for the dynamical calculations.(1) The state to state and state to all transition probabilities for total angular momentum J = 0 have been calculated in a broad range of collision energies. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities by means of J-shifting approximation based on a capture model and a uniform J-shifting method for J > 0.
dc.description.sponsorshipFirat University Scientific Research Projects Unit (FUBAP) [FUBAP-1775]; Turkish Scientific and Technological Research Council of TURKEY (TUBITAK) [109T447]
dc.description.sponsorshipAuthors are indebted to Dr. Paolo Defazio for many stimulating discussions on quantum wave packet theory. Partial financial support from the Firat University Scientific Research Projects Unit (FUBAP) (Project No. FUBAP-1775) is gratefully acknowledged. The numerical calculations reported in this paper were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and this work was supported by the Turkish Scientific and Technological Research Council of TURKEY (TUBITAK) (Project No. 109T447). The authors wish to thank TUBITAK and FUBAP.
dc.identifier.doi10.1142/S0219633611006451
dc.identifier.endpage307
dc.identifier.issn0219-6336
dc.identifier.issn1793-6888
dc.identifier.issue3
dc.identifier.scopus2-s2.0-79957562604
dc.identifier.scopusqualityN/A
dc.identifier.startpage297
dc.identifier.urihttps://doi.org/10.1142/S0219633611006451
dc.identifier.urihttps://hdl.handle.net/11508/44984
dc.identifier.volume10
dc.identifier.wosWOS:000293397000003
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWorld Scientific Publ Co Pte Ltd
dc.relation.ispartofJournal of Theoretical & Computational Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260511
dc.subjectInelastic scattering
dc.subjectquantum wave packet
dc.subjectreaction rate constants
dc.titleQUANTUM DYNAMICS OF THE He + Li2 INELASTIC SCATTERING
dc.typeArticle

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