Zobrazeno 1 - 10
of 80
pro vyhledávání: '"Michael Chrysos"'
Autor:
Henri Piel, Michael Chrysos
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2020, 118 (1), pp.e1587024. ⟨10.1080/00268976.2019.1587024⟩
Molecular Physics, Taylor & Francis, 2020, 118 (1), pp.e1587024. ⟨10.1080/00268976.2019.1587024⟩
Appropriately handling the Lippmann-Schwinger equation can bring substantial benefits in quantum scattering. Here, the advantages of a parametric equation for the system's normalised wavefunction, ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d381bf22f9e6233ecc3bf6f89c22b94
https://hal.univ-angers.fr/hal-02886303
https://hal.univ-angers.fr/hal-02886303
Autor:
Michael Chrysos, Henri Piel
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2018, 116 (18), pp.2364-2373. ⟨10.1080/00268976.2018.1484951⟩
Molecular Physics, Taylor & Francis, 2018, 116 (18), pp.2364-2373. ⟨10.1080/00268976.2018.1484951⟩
We discuss the advantages of a single-valued function (and related formula) for the absolute definition and computation of scattering phase shifts in spherically symmetric van der Waals potentials. Although the expression, as such, is known since the
Autor:
Michael, Chrysos, Henri, Piel
Publikováno v:
The Journal of chemical physics. 147(3)
Three keynote thermophysical and transport properties of
Autor:
Henri Piel, Michael Chrysos
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2017, 147 (3), pp.034105. ⟨10.1063/1.4993222⟩
Journal of Chemical Physics, American Institute of Physics, 2017, 147 (3), pp.034105. ⟨10.1063/1.4993222⟩
Three keynote thermophysical and transport properties of 3He and 4He, namely, the second virial coefficient, the shear viscosity, and the thermal conductivity, are reported for the “extended Dirac bubble potential” (EDbp), a novel model for He–
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::693b4a568280e02c740a53e2e6453f67
https://hal.univ-angers.fr/hal-02886302
https://hal.univ-angers.fr/hal-02886302
Autor:
Michael Chrysos
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2017, 146 (2), pp.024106. ⟨10.1063/1.4973612⟩
Journal of Chemical Physics, American Institute of Physics, 2017, 146 (2), pp.024106. ⟨10.1063/1.4973612⟩
International audience; We focus on the long-pending issue of the inadequacy of the Dirac bubble potential model in the description of He–He interactions in the continuum [L. L. Lohr and S. M. Blinder, Int. J. Quantum Chem. 53, 413 (1995)]. We attr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14c4b55ff528d47fdae6571944ec88bd
https://hal.archives-ouvertes.fr/hal-01433810
https://hal.archives-ouvertes.fr/hal-01433810
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2015, 142 (17), pp.174304. ⟨10.1063/1.4919639⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 142 (17), pp.174304. ⟨10.1063/1.4919639⟩
International audience; We report the room-temperature isotropic collision-induced lightscatteringspectrumof Ne–Ne over a wide interval of Raman shifts, and we compare it with the only available experimentalspectrumfor that system as well as withsp
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2015, 142 (8), pp.084302. ⟨10.1063/1.4913212⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 142 (8), pp.084302. ⟨10.1063/1.4913212⟩
International audience; Owing in part to the p orbitals of its filled L shell, neon has repeatedly come on stage for its peculiar properties. In the context of collision-induced Raman spectroscopy, in particular, we have shown, in a brief report publ
Autor:
Michael Chrysos, F. Rachet
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2015, 143 (17), pp.174301. ⟨10.1063/1.4934784⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 143 (17), pp.174301. ⟨10.1063/1.4934784⟩
International audience; We report absolutely calibrated isotropic Raman lineshapes for Kr2 and Xe2 and for KrXe at 294.5 K and compare them to quantum-mechanically generated lineshapes by using state-of-the-art second-order Møller-Plesset and DFT/B3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::699f7a086665c88f03cabe919c529669
https://hal.archives-ouvertes.fr/hal-01391723
https://hal.archives-ouvertes.fr/hal-01391723
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2015, 143 (2), pp.024304. ⟨10.1063/1.4923370⟩
Journal of Chemical Physics, 2015, 143 (2), pp.024304. ⟨10.1063/1.4923370⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 143 (2), pp.024304. ⟨10.1063/1.4923370⟩
Journal of Chemical Physics, 2015, 143 (2), pp.024304. ⟨10.1063/1.4923370⟩
International audience; This is the long-overdue answer to the discrepancies observed between theory and experiment in Ar2 regarding both the isotropic Raman spectrum and the second refractivity virial coefficient, BR [Gaye et al., Phys. Rev. A 55, 3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::addca84f6db2540296fc30aff504635e
https://hal.archives-ouvertes.fr/hal-01390925
https://hal.archives-ouvertes.fr/hal-01390925
Autor:
Michael Chrysos, M. Sylla, Olga Castellano, Michel Giffard, Alan Hinchliffe, Humberto Soscún, Xuan Nguyen-Phu
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 716:1-9
By using the PM3 parametrization with MOPAC6/FF methodology we have studied the a, b, and g optical properties of a series of polyacene-thiolates PAT and polyphenylene-thiolate PPT oligomers, with aromatic ring numbers from nZ1 to 10. The results sho