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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-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⟩
hal-00907802v1  Journal articles
Benoît CorretjaStefano EvangelistiNicolas Suaud. A theoretical study of saturated sp3 nitrogen rings
Journal of Molecular Structure: THEOCHEM, Elsevier, 2008, 863 (1-3), pp.9-15. ⟨10.1016/j.theochem.2008.05.005⟩
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
hal-00003457v1  Journal articles
Stefano EvangelistiJ.-M. Junquera-HernandezJ. Sanchez-MarinG.L. Bendazzoli. Full-Configuration-Interaction Calculation on Be_3
Journal of Physical Chemistry A, American Chemical Society, 2004, 120, pp.8405
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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-00920824v1  Journal articles
Carmen J CalzadoStefano Evangelisti. Exchange interactions in [2 × 2] Cu(II) grids: on the reliability of the fitting spin models
Journal- Chemical Society Dalton Transactions, Royal Society of Chemistry, 2014, 43 (7), pp.2988-2996. ⟨10.1039/C3DT53168F⟩
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⟩
hal-00873597v1  Journal articles
Stefano EvangelistiGian Luigi BendazzoliAntonio Monari. Electron localizability and polarizability in tight-binding graphene nanostructures
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2010, 126 (3-4), pp.257-263. ⟨10.1007/s00214-009-0700-3⟩
hal-00957530v1  Journal articles
Antonio MonariGian Luigi BendazzoliStefano Evangelisti. The metal-insulator transition in dimerized Hückel chains
Journal of Chemical Physics, American Institute of Physics, 2008, 129 (13), pp.134104. ⟨10.1063/1.2987702⟩
hal-00873084v1  Journal articles
Gian Luigi BendazzoliAntonio MonariStefano Evangelisti. A numerical method for computing dispersion constants
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2009, 123 (3-4), pp.265-272. ⟨10.1007/s00214-009-0520-5⟩