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hal-00872083v1  Journal articles
Christelle EscureThierry LeiningerBruno Lepetit. Ab initio study of valence and Rydberg states of CH3Br.
Journal of Chemical Physics, American Institute of Physics, 2009, 130 (24), pp.244306/1-244306/8. ⟨10.1063/1.3152865⟩
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hal-01788389v1  Journal articles
Alejandro Diaz-MarquezStefano BattagliaGian Luigi BendazzoliStefano EvangelistiThierry Leininger et al.  Signatures of Wigner localization in one-dimensional systems
Journal of Chemical Physics, American Institute of Physics, 2018, 148 (12), pp.124103. ⟨10.1063/1.5017118⟩
hal-00872616v1  Journal articles
Marco VerdicchioStefano EvangelistiThierry LeiningerAntonio Monari. On the triplet ground state of tetrahedral X4 clusters (X = Li, Na, K, Cu).
Journal of Chemical Physics, American Institute of Physics, 2012, 136 (9), pp.094301-094307. ⟨10.1063/1.3687907⟩
hal-00872097v1  Journal articles
Christelle EscureThierry LeiningerBruno Lepetit. Ab initio study of methyl-bromide photodissociation in the A band.
Journal of Chemical Physics, American Institute of Physics, 2009, 130 (24), pp.244305/1-244305/10. ⟨10.1063/1.3154140⟩
hal-00872141v1  Journal articles
Antonio MonariStefano EvangelistiThierry Leininger. Charge transfer and mixed-valence behavior in phtalocyanine-dimer cations.
Journal of Chemical Physics, American Institute of Physics, 2010, 133 (12), pp.124301/1-124301/8. ⟨10.1063/1.3491027⟩
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hal-00927103v1  Journal articles
Thierry LeiningerJulien Toulouse. Relever le défi de la résolution de l'équation de Schrödinger
L'Actualité Chimique, Société chimique de France, 2014, 382-383, pp.13-21
hal-00952054v1  Journal articles
O. BennettA. DickinsonThierry LeiningerFlorent Gadéa. Erratum: Radiative association in Li+H revisited: the role of quasi-bound states
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P - Oxford Open Option A, 2008, 384 (4), pp.1743-1744. ⟨10.1111/j.1365-2966.2008.12586.x⟩
hal-00907791v1  Journal articles
Stefano EvangelistiNathalie GuihéryThierry LeiningerJean-Paul MalrieuDaniel Maynau et al.  Local orbitals for quasi-degenerate systems
Journal of Molecular Structure: THEOCHEM, Elsevier, 2004, 709, pp.1
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hal-01874236v1  Journal articles
Ahmad HuranNadia Ben AmorStefano EvangelistiSophie HoyauThierry Leininger et al.  The Electronic Structure of Beryllium Chains
Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (24), pp.5321-5332. ⟨10.1021/acs.jpca.7b12187⟩
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hal-01876551v1  Book sections
Stefano BattagliaStefano EvangelistiThierry LeiningerNoelia Faginas Lago. Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes
Osvaldo Gervasi, Beniamino Murgante, Sanjay Misra, Elena Stankova, Carmelo M. Torre, Ana Maria A.C. Rocha, David Taniar, Bernady O. Apduhan, Eufemia Tarantino, Yeonseung Ryu. Computational Science and Its Applications – ICCSA 2018., 10964, Springer, pp.579-592, 2018, Lecture Notes in Computer Science, 978-3-319-95173-7. ⟨10.1007/978-3-319-95174-4_45⟩
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hal-02155386v1  Journal articles
Emília de AragãoDiego MorenoStefano BattagliaGian Luigi BendazzoliStefano Evangelisti et al.  A simple position operator for periodic systems
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2019, 99 (20), pp.205144. ⟨10.1103/PhysRevB.99.205144⟩
hal-00840975v1  Journal articles
Benjamin DeguilhemThierry LeiningerFlorent GadéaA. Dickinson. Photoassociation of He2 revisited
Journal of Physics B: Atomic, Molecular and Optical Physics, IOP Publishing, 2009, 42 (1), pp.015102/1-015102/9. ⟨10.1088/0953-4075/42/1/015102⟩
hal-00957841v1  Conference papers
Wissam HelalStefano EvangelistiThierry LeiningerDaniel Maynau. Localized Multi‐Reference Approach for Mixed‐Valence Systems
International Conference on Numerical Analysis and Applied Mathematics, May 2007, Corfu, Greece. pp.3-6, ⟨10.1063/1.2997308⟩
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hal-02128292v1  Journal articles
Stefano BattagliaNoelia Faginas LagoThierry LeiningerStefano Evangelisti. Tuning the magnetic properties of beryllium chains
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21, pp.6080-6086. ⟨10.1039/C8CP07159D⟩
hal-01957267v1  Journal articles
Buse ChaglayanAhmad HuranNadia Ben AmorVéronique BrumasStefano Evangelisti et al.  Spherical aromaticity and electron delocalization in C8 and B4N4 cubic systems
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2019, 138 (1), pp.5. ⟨10.1007/s00214-018-2387-9⟩
hal-01071999v1  Journal articles
Muammar El KhatibGian Luigi BendazzoliStefano EvangelistiWissam HelalThierry Leininger et al.  Beryllium Dimer: A Bond Based on Non-Dynamical Correlation
Journal of Physical Chemistry A, American Chemical Society, 2014, 118 (33), pp.6664-6673. ⟨10.1021/jp503145u⟩