Zobrazeno 1 - 10 of 53 pro vyhledávání: '"Florent Xavier Gadéa"'
1
Ab initio diabatic and adiabatic calculations for francium hydride FrH
Autor: Brahim Oujia, Héla Habli, et Florent Xavier Gadéa, Hanen Souissi, Leila Mejrissi, Maarib A. Alsahhaf
Publikováno v: New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2020, 44 (14), pp.5572-5587. ⟨10.1039/C9NJ06391A⟩
Explicit ab initio diabatic and adiabatic calculations of potential energy curves (PECs) of the states 1,3Σ+, 1,3Π, and 1,3Δ of francium hydride FrH have been carried out with several approaches. We determined for both representations the permanen
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60975f2e2110b46314b16196f2116736
https://doi.org/10.1039/c9nj06391a
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2
Non-adiabatic dynamics combining Ehrenfest, decoherence, and multiscale approaches applied to ionic rare-gas clusters photodissociation, post-ionization fragmentation, and collisions
Autor: Florent Xavier Gadéa, Ivan Janeček, René Kalus
Publikováno v: Computational and Theoretical Chemistry
Computational and Theoretical Chemistry, Elsevier, 2019, 1153, pp.54-64. ⟨10.1016/j.comptc.2019.02.016⟩
Methodological approaches for realistic modeling of non-adiabatic processes are reviewed and selected applications are discussed. The methods are based on a hybrid approach with heavy atomic nuclei treated classically and light electrons described qu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35900e07b99ba2795bf88bbb9c46e8a3
https://doi.org/10.1016/j.comptc.2019.02.016
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3
The nearby magnetic cool DZ white dwarf PM J08186-3110
Autor: Stephane Vennes, Adela Kawka, Thierry Leininger, N. F. Allard, Florent Xavier Gadéa
Publikováno v: Monthly Notices of the Royal Astronomical Society
Monthly Notices of the Royal Astronomical Society, 2021, 500 (2), pp.2732-2740. ⟨10.1093/mnras/staa3421⟩
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2021, 500 (2), pp.2732-2740. ⟨10.1093/mnras/staa3421⟩
We present an analysis of photometric, spectroscopic and spectropolarimetric data of the nearby, cool, magnetic DZ white dwarf PM J08186-3110. High dispersion spectra show the presence of Zeeman splitted spectral lines due to the presence of a surfac
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc675e1339625cd21a7931271eaa8598
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4
Theoretical investigation of the diatomic Van der Waals systems Ca + He and CaHe
Autor: Attieh A. Al-Ghamdi, Leila Mejrissi, Florent Xavier Gadéa, Brahim Oujia, Héla Habli, Safa Mtiri
Publikováno v: Computational and Theoretical Chemistry
Computational and Theoretical Chemistry, Elsevier, 2017, 1114, pp.33-46. ⟨10.1016/j.comptc.2017.05.025⟩
An ab initio investigation has been performed for the ground and several excited states of Ca + He and CaHe systems. The potential energy curves, spectroscopic constants, vibrational levels energies and electric dipole moments have been calculated an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::847f25ce82b11ebdf8fdb653ddc6ff5c
https://doi.org/10.1016/j.comptc.2017.05.025
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5
Fragmentation of KrN+ clusters after electron impact ionization II. Long-time dynamics simulations of Kr7+ evolution and the role of initial electronic excitation
Autor: Ivan Janeček, Florent Xavier Gadéa, Martin Stachoň, René Kalus
Publikováno v: Physical Chemistry Chemical Physics. 19:25423-25440
Long time simulations, up to 100 ns, have been performed for the fragmentation of Kr7+ clusters after electron impact ionization. They rely on DIM approaches and hybrid non-adiabatic dynamics combining mean field and decoherence driven either by Tull
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::24a7662e2bfd3d0e89b7aa9324f49240
https://doi.org/10.1039/c7cp03940a
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6
Mobility and dissociation of electronically excited Kr2+ ions in cold krypton plasma
Autor: René Kalus, Cyril Van de Steen, Mohammed Yousfi, Rajko Ćosić, Florent Xavier Gadéa, M. Benhenni
Publikováno v: Plasma Sources Science and Technology
Plasma Sources Science and Technology, IOP Publishing, 2019, 28 (9), pp.095008. ⟨10.1088/1361-6595/ab3a17⟩
International audience; Collisions of electronically excited krypton dimers with krypton atoms are studied using a hybrid (quantum-classical) dynamical method, semi-empirical diatomics-in-molecules electronic Hamiltonian, and Monte Carlo modeling. Kr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::032aa433ec695aff499d88fac922a1aa
https://hal.archives-ouvertes.fr/hal-02308452
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7
Calculations of cross-sections, dissociation rate constants and transport coefficients of Xe
Autor: Cyril, Van de Steen, Malika, Benhenni, René, Kalus, Rajko, Ćosić, Silvie, Illésová, Florent Xavier, Gadéa, Mohammed, Yousfi
Publikováno v: Physical chemistry chemical physics : PCCP. 21(13)
A quantum formalism and classical treatment have been used for electrons and nuclei, respectively, in a hybrid method in order to study the dynamics of electronically ground-state ionic xenon dimer, Xe2+, in its parent gas. A semiempirical Diatomics
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::89790ad995febdf483105b9563d6190e
https://pubmed.ncbi.nlm.nih.gov/30874260
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9
Calculations of cross-sections, dissociation rate constants and transport coefficients of Xe2+ colliding with Xe
Autor: M. Benhenni, Rajko Ćosić, Florent Xavier Gadéa, René Kalus, Cyril Van de Steen, Silvie Illésová, Mohammed Yousfi
Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (13), pp.7029-7038. ⟨10.1039/C9CP00338J⟩
A quantum formalism and classical treatment have been used for electrons and nuclei, respectively, in a hybrid method in order to study the dynamics of electronically ground-state ionic xenon dimer, Xe2+, in its parent gas. A semiempirical Diatomics
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c2c14512f7968eff22b32517d1c2ce7
https://hal.archives-ouvertes.fr/hal-02125006
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10
Theoretical study of the SrLi+ molecular ion: structural, electronic and dipolar properties
Autor: Héla Habli, Brahim Oujia, Mahmoud Mohery, Florent Xavier Gadéa, Leila Mejrissi, Soulef Jellali
Publikováno v: Molecular Physics
Molecular Physics, Taylor & Francis, 2016, 114 (20), pp.2910-2923. ⟨10.1080/00268976.2016.1203035⟩
The structural and electronic properties of (SrLi)+ molecular ion have been determined by the use of ab initio approaches. Potential energy curves (PECs) with their spectroscopic constants (Re, De, ωe, Te, Be and ωeχe) have been calculated. Also,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c71cfd486fa5446f43918b338d9b72e
https://doi.org/10.1080/00268976.2016.1203035
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