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hal-01071980v1  Journal articles
Dayán HernándezHélène Bolvin. Magnetic properties of a fourfold degenerate state: Np4+ ion diluted in Cs2ZrCl6 crystal
Journal of Electron Spectroscopy and Related Phenomena, Elsevier, 2014, 194, pp.74-80. ⟨10.1016/j.elspec.2014.03.002⟩
hal-00937326v1  Journal articles
Vijay Gopal ChilkuriGeorges TrinquierNadia Ben AmorJean-Paul MalrieuNathalie Guihéry. In Search of Organic Compounds Presenting a Double Exchange Phenomenon
Journal of Chemical Theory and Computation, American Chemical Society, 2013, 9 (11), pp.4805-4815. ⟨10.1021/ct4005855⟩
hal-02289337v1  Journal articles
Cinthia SuellenRenato Garcia FreitasPierre-Francois LoosDenis Jacquemin. Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (8), pp.4581-4590. ⟨10.1021/acs.jctc.9b00446⟩
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hal-01945031v1  Journal articles
Pierre-Francois LoosMartial Boggio-PasquaAnthony ScemamaMichel CaffarelDenis Jacquemin. Reference Energies for Double Excitations
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (3), pp.1939-1956. ⟨10.1021/acs.jctc.8b01205⟩
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hal-01868473v1  Journal articles
Jérôme CunyFranck JoliboisI.C. Gerber. Evaluation of Gas-to-Liquid 17 O Chemical Shift of Water: a Test Case for Molecular and Periodic Approaches
Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (8), pp.4041-4051. ⟨10.1021/acs.jctc.8b00243⟩
hal-02076169v1  Journal articles
Hugh G. A. BurtonAlex J. W. ThomPierre-Francois Loos. Parity-Time Symmetry in Hartree–Fock Theory
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (8), pp.4374-4385. ⟨10.1021/acs.jctc.9b00289⟩
hal-02767551v1  Journal articles
Pierre-Francois LoosEmmanuel Fromager. A weight-dependent local correlation density-functional approximation for ensembles
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (21), pp.214101. ⟨10.1063/5.0007388⟩
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hal-01118370v1  Journal articles
Wolfgang EisfeldAlexandra Viel. Higher order (A+E)⊗e pseudo-Jahn–Teller coupling
Journal of Chemical Physics, American Institute of Physics, 2005, 122 (20), pp.204317. ⟨10.1063/1.1904594⟩