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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/21821

Title: Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan
Authors: Morini, F.
Deleuze, M. S.
Watanabe, N.
Takahashi, M.
Issue Date: 2015
Publisher: IOP Publishing
Citation: 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.
URI: http://hdl.handle.net/1942/21821
DOI: 10.1088/1742-6596/635/7/072010
ISI #: 000366407000361
ISSN: 1742-6588
Category: C1
Type: Proceedings Paper
Validation: ecoom, 2017
Appears in Collections: Research publications

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