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Le formalisme de Wigner – Weyl en mécanique quantique
Adina Ceausu-Velcescu
,
Paul Blaise
,
Yuri P. Kalmykov
Journées Dynamiques du Sud – Ouest, Jun 2015, Toulouse, France
Conference papers
hal-01191417v1
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Double hybrid density-functional theory using the coulomb-attenuating method
Yann Cornaton
,
Emmanuel Fromager
International Journal of Quantum Chemistry Symposium, 2014, 114 (18), pp.1199-1211. ⟨10.1002/qua.24682⟩
Journal articles
hal-01370025v1
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Complete analytic anharmonic hyper-Raman scattering spectra
Yann Cornaton
,
Magnus Ringholm
,
Kenneth Ruud
Journal articles
hal-01370029v1
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Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?
Pierre Labeguerie
,
Corentin Boilleau
,
Roland Bastardis
,
Nicolas Suaud
,
Nathalie Guihéry
,
et al.
Journal articles
hal-00907036v1
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A Noncovalent Interaction Insight onto the Concerted Metallation Deprotonation Mechanism
Yann Cornaton
,
Jean-Pierre Djukic
Journal articles
hal-03098110v1
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Anharmonic effects in vibrational light-scattering phenomena
Yann Cornaton
,
Orian Louant
,
Magnus Ringholm
,
Kenneth Ruud
Norwegian Chemical Society's Annual Meeting in Quantum and Computational Chemistry, Jun 2015, Bergen, Norway
Conference papers
hal-01371562v1
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Analytic calculations of anharmonic infrared and Raman vibrational spectra
Yann Cornaton
,
Magnus Ringholm
,
Orian Louant
,
Kenneth Ruud
Journal articles
hal-01370026v1
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Étude de clusters d'eau par dynamique directe Born-Oppenheimer
Yann Cornaton
,
Vladimir V Rybkin
,
Simen Reine
,
Kenneth Ruud
14emes Rencontres des Chimistes Théoriciens Francophones, Jun 2014, Paris, France
Conference papers
hal-01371532v1
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Analytical calculation of the influence of solvent effects on three-photon absorption cross-section
Yann Cornaton
,
Roberto Di Remigio
,
Maarten T.P. Beerepoot
CTCC annual meeting 2015, Apr 2015, Sundvolen, Norway
Conference papers
hal-01371557v1
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Anharmonic effects in vibrational light-scattering phenomena
Yann Cornaton
,
Orian Louant
,
Magnus Ringholm
,
Kenneth Ruud
24th Colloquium on High Resolution Molecular Spectroscopy, Aug 2015, Dijon, France
Conference papers
hal-01371568v1
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Comment les calculs ab initio peuvent-ils assister l’interprétation des données expérimentales en spectroscopie ?
Adina Ceausu-Velcescu
,
Paul Blaise
4èmes rencontres « Chimie Expérimentale – Chimie Théorique, Apr 2015, Toulouse, France
Conference papers
hal-01191416v1
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Anharmonic effects in vibrational light-scattering phenomena
Yann Cornaton
,
Orian Louant
,
Magnus Ringholm
,
Kenneth Ruud
8th International Conference in Advanced Vibrational Spectroscopy, Jul 2015, Vienne, Austria
Conference papers
hal-01371565v1
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Analytic calculation of anharmonic contributions to vibrational frequencies and IR/Raman intensities
Yann Cornaton
,
Orian Louant
,
Magnus Ringholm
,
Kenneth Ruud
50th syposium on Theoretical Chemistry, Sep 2014, Vienne Austria
Conference papers
hal-01371538v1
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A Global Analytical Representation of the Potential Energy Surface of the FHF – Anion
Yann Cornaton
,
Roberto Marquardt
Journal articles
hal-01370631v1
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Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems: application to half-doped manganites.
Roland Bastardis
,
Nathalie Guihéry
,
Nicolas Suaud
,
Coen de Graaf
Journal articles
hal-00907038v1
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