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Title: | Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan | Authors: | MORINI, Filippo DELEUZE, Michael Watanabe, N. Takahashi, M. |
Issue Date: | 2015 | Publisher: | IOP Publishing | Source: | Diaz, C.; Rabadan, I.; Garcia, G.; Mendez, L.; Martin, F. (Ed.). Journal of Physics: Conference Series | Series/Report: | Journal of Physics: Conference Series | Series/Report no.: | 635 | Abstract: | The role of molecular vibrations has been theoretically investigated in the electronic ground state on the (e,2e) valence orbital momentum profiles of furan by means of two complementary approaches. The first one relies upon the principles of Born-Oppenheimer Molecular Dynamics (BOMD), whereas the second one, referred as Harmonic Analytical Quantum Mechanical (HAQM) approach, includes on quantum-mechanical grounds the effect of vibrations in the structure factors. | Notes: | [Morini, F.; Deleuze, M. S.; Watanabe, N.; Takahashi, M.] Hasselt Univ, Ctr Mol & Mat Modelling, B-3590 Diepenbeek, Belgium. | Document URI: | http://hdl.handle.net/1942/21821 | DOI: | 10.1088/1742-6596/635/7/072010 | ISI #: | 000366407000361 | Rights: | Content from this work may be used under the terms of theCreative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Published under licence by IOP Publishing Ltd. | Category: | C1 | Type: | Proceedings Paper | Validations: | ecoom 2017 |
Appears in Collections: | Research publications |
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17861.pdf | Published version | 396.03 kB | Adobe PDF | View/Open |
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