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Elisa Rebolini

Publications

  • Lévêque J., Rebolini E., Lepetit M.B., Saúl A., Theoretical study of the magnetic properties of the CoCu2O3 compound, Physical Review B, 106, 224402-1-224402-7, 2022
  • Teale, Andrew Michael; Helgaker, Trygve; Savin, Andreas et al, DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, Physical Chemistry Chemical Physics, 24, 28700-28781, 2022
  • Lévêque, Julien; Rebolini, Elisa; Saúl, Andrés; Lepetit, Marie-Bernadette; Theoretical study of the magnetic properties of BaNiF4,The European Physical Journal B, 94, 10, 1-9, 2021
  • Vaunat, A; Balédent, V; Petit, S; Roy, P; Brubach, JB; Giri, G; Rebolini, E; Steffens, P; Raymond, S; Berrod, Q; Evidence for an electromagnon in GdMn2O5: A multiferroic with a large electric polarization, Physical Review B, 103, 17, 174434, 2021,
  • Rebolini, Elisa; Lepetit, Marie-Bernadette; For an ab initio calculation of the magnetic excitations: RelaxSE!, The Journal of Chemical Physics, 154, 16, 164116, 2021
  • Hansen, Audun Skau; Baardsen, Gustav; Rebolini, Elisa; Maschio, Lorenzo; Pedersen, Thomas Bondo; Representation of the virtual space in extended systems–a correlation energy convergence study, Molecular Physics, 118, 19-20, 2020
  • Ekström, U; Bast, R; Di Remigio, R; Jacob, Ch R; Reine, S; Juselius, J; Rebolini, E; Gomes, ASP; Jensen, SR; Reimann, S; XCFun: Exchange-Correlation functionals with arbitrary order derivatives, 2020,Version
  • Peng, Wei; Balédent, Victor; Lepetit, M-B; Vaunat, Antoine; Rebolini, Elisa; Greenblatt, Martha; Foury-Leylekian, Pascale; Pressure-dependent X-ray diffraction of the multiferroics RMn2O5, Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 4, 687-696, 2019
  • Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl R; Pedersen, Thomas Bondo; Divide–Expand–Consolidate Second-Order Møller–Plesset Theory with Periodic Boundary Conditions, Journal of Chemical Theory and Computation, 14, 5, 2427-2438, 2018
  • Rebolini, Elisa; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien; Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection, Molecular Physics, 116, 11,1443-1451, 2018
  • Rebolini, Elisa; Izsak, Robert; Reine, Simen Sommerfelt; Helgaker, Trygve; Pedersen, Thomas Bondo; Comparison of Three Efficient Approximate Exact-Exchange Algorithms: The Chain-of-Spheres Algorithm, Pair-Atomic Resolution-of-the-Identity Method, and Auxiliary Density Matrix Method, Journal of chemical theory and computation, 12, 8, 3514-3522, 2016,
  • Rebolini, Elisa; Toulouse, Julien; Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel, The Journal of Chemical Physics, 144, 9, 094107, 2016
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas; Calculating excitation energies by extrapolation along adiabatic connections, Physical Review A, 91, 3, 032519, 2015
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas; Excited states from range-separated density-functional perturbation theory, Molecular Physics, 113, 13-14, 1740-1749, 2015
  • Rebolini, Elisa; Toulouse, Julien; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas; Excitation energies along a range-separated adiabatic connection, The Journal of Chemical Physics, 141, 4, 044123, 2014
  • Adamo, Carlo; Rebolini, Elisa; Savin, Andreas; Décrire la structure électronique avec des fonctionnelles de la densité, L’actualité chimique,382-383,,2014
  • Rebolini, Elisa; Savin, Andreas; Toulouse, Julien; Electronic excitations from a linear-response range-separated hybrid scheme, Molecular Physics, 111, 9-11, 1219-1234, 2013
  • Toulouse, Julien; Rebolini, Elisa; Gould, Tim; Dobson, John F; Seal, Prasenjit; Angyán, János G; Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients, The Journal of chemical physics, 138, 19, 194106, 2013
  • Rebolini, Elisa; Toulouse, Julien; Savin, Andreas; Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule, 2013,
  • Reczek, Joseph J; Rebolini, Elisa; Urbach, Adam R; Solid-phase synthesis of peptide− viologen conjugates, The Journal of Organic Chemistry, 75, 6, 2111-2114, 2010,