| DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022 | 185 | 2022 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023 | 140 | 2023 |
| Comparison of three efficient approximate exact-exchange algorithms: The chain-of-spheres algorithm, pair-atomic resolution-of-the-identity method, and auxiliary density matrix … E Rebolini, R Izsak, SS Reine, T Helgaker, TB Pedersen Journal of chemical theory and computation 12 (8), 3514-3522, 2016 | 39 | 2016 |
| Electronic excitations from a linear-response range-separated hybrid scheme E Rebolini, A Savin, J Toulouse Molecular Physics 111 (9-11), 1219-1234, 2013 | 34 | 2013 |
| Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel E Rebolini, J Toulouse The Journal of Chemical Physics 144 (9), 2016 | 32 | 2016 |
| Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients J Toulouse, E Rebolini, T Gould, JF Dobson, P Seal, JG Ángyán The Journal of chemical physics 138 (19), 2013 | 25 | 2013 |
| Excitation energies along a range-separated adiabatic connection E Rebolini, J Toulouse, AM Teale, T Helgaker, A Savin The Journal of Chemical Physics 141 (4), 2014 | 18 | 2014 |
| Solid-phase synthesis of peptide− viologen conjugates JJ Reczek, E Rebolini, AR Urbach The Journal of Organic Chemistry 75 (6), 2111-2114, 2010 | 18 | 2010 |
| Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule E Rebolini, J Toulouse, A Savin arXiv preprint arXiv:1304.1314, 2013 | 17 | 2013 |
| Divide–Expand–Consolidate Second-Order Møller–Plesset Theory with Periodic Boundary Conditions E Rebolini, G Baardsen, AS Hansen, KR Leikanger, TB Pedersen Journal of Chemical Theory and Computation 14 (5), 2427-2438, 2018 | 16 | 2018 |
| Excited states from range-separated density-functional perturbation theory E Rebolini, J Toulouse, AM Teale, T Helgaker, A Savin Molecular Physics 113 (13-14), 1740-1749, 2015 | 16 | 2015 |
| Calculating excitation energies by extrapolation along adiabatic connections E Rebolini, J Toulouse, AM Teale, T Helgaker, A Savin Physical Review A 91 (3), 032519, 2015 | 15 | 2015 |
| Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity E Rebolini, J Toulouse, A Savin, SK Ghosh, PK Chattaraj CRC Press, 2013 | 15 | 2013 |
| Representation of the virtual space in extended systems–a correlation energy convergence study AS Hansen, G Baardsen, E Rebolini, L Maschio, TB Pedersen Molecular Physics 118 (19-20), e1733118, 2020 | 12 | 2020 |
| Evidence for an electromagnon in : A multiferroic with a large electric polarization A Vaunat, V Balédent, S Petit, P Roy, JB Brubach, G Giri, E Rebolini, ... Physical Review B 103 (17), 174434, 2021 | 8 | 2021 |
| XCFun: Exchange-Correlation functionals with arbitrary order derivatives U Ekström, R Bast, R Di Remigio, CR Jacob, S Reine, J Juselius, ... Version 2 (1), 2020 | 7 | 2020 |
| Solid-phase zincke reaction for the synthesis of peptide-4, 4′-bipyridinium Conjugates P Corton, P Novo, V Lopez-Sobrado, MD Garcia, C Peinador, E Pazos Synthesis 52 (04), 537-543, 2020 | 6 | 2020 |
| For an ab initio calculation of the magnetic excitations: RelaxSE! E Rebolini, MB Lepetit The Journal of Chemical Physics 154 (16), 2021 | 5 | 2021 |
| Range-separated density-functional theory for molecular excitation energies E Rebolini Université Pierre et Marie Curie-Paris VI, 2014 | 5 | 2014 |
| Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection E Rebolini, AM Teale, T Helgaker, A Savin, J Toulouse Molecular Physics 116 (11), 1443-1451, 2018 | 4 | 2018 |
