| OpenFermion: the electronic structure package for quantum computers JR McClean, NC Rubin, KJ Sung, ID Kivlichan, X Bonet-Monroig, Y Cao, ... Quantum Science and Technology 5 (3), 034014, 2020 | 403 | 2020 |
| The DIRAC code for relativistic molecular calculations T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ... The Journal of chemical physics 152 (20), 2020 | 232 | 2020 |
| Calculating energy derivatives for quantum chemistry on a quantum computer TE O’Brien, B Senjean, R Sagastizabal, X Bonet-Monroig, A Dutkiewicz, ... npj Quantum Information 5 (1), 113, 2019 | 70 | 2019 |
| A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states S Yalouz, B Senjean, J Günther, F Buda, TE O’Brien, L Visscher Quantum Science and Technology 6 (2), 024004, 2021 | 50 | 2021 |
| Unified formulation of fundamental and optical gap problems in density-functional theory for ensembles B Senjean, E Fromager Physical Review A 98 (2), 022513, 2018 | 39 | 2018 |
| Performance comparison of optimization methods on variational quantum algorithms X Bonet-Monroig, H Wang, D Vermetten, B Senjean, C Moussa, T Bäck, ... Physical Review A 107 (3), 032407, 2023 | 37 | 2023 |
| Local density approximation in site-occupation embedding theory B Senjean, M Tsuchiizu, V Robert, E Fromager Molecular Physics 115 (1-2), 48-62, 2017 | 33 | 2017 |
| Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states B Senjean, S Knecht, HJA Jensen, E Fromager Physical Review A 92 (1), 012518, 2015 | 29 | 2015 |
| Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications E Koridon, S Yalouz, B Senjean, F Buda, TE O'Brien, L Visscher Physical Review Research 3 (3), 033127, 2021 | 26 | 2021 |
| Site-occupation embedding theory using Bethe ansatz local density approximations B Senjean, N Nakatani, M Tsuchiizu, E Fromager Physical Review B 97 (23), 235105, 2018 | 24 | 2018 |
| Weight dependence of local exchange–correlation functionals in ensemble density-functional theory: double excitations in two-electron systems C Marut, B Senjean, E Fromager, PF Loos Faraday Discussions 224, 402-423, 2020 | 23 | 2020 |
| Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments, and valence virtual spinors B Senjean, S Sen, M Repisky, G Knizia, L Visscher Journal of chemical theory and computation 17 (3), 1337-1354, 2021 | 22 | 2021 |
| N‐centered ensemble density‐functional theory for open systems B Senjean, E Fromager International Journal of Quantum Chemistry 120 (21), e26190, 2020 | 22 | 2020 |
| Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver S Yalouz, E Koridon, B Senjean, B Lasorne, F Buda, L Visscher Journal of chemical theory and computation 18 (2), 776-794, 2022 | 20 | 2022 |
| DIRAC, a relativistic ab initio electronic structure program, release DIRAC19 ASP Gomes, T Saue, L Visscher, HJA Jensen, R Bast, IA Aucar, V Bakken, ... Zenodo. https://doi. org/10.5281/zenodo 3572669, 2019 | 19 | 2019 |
| Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory B Senjean, ED Hedegård, MM Alam, S Knecht, E Fromager Molecular Physics 114 (7-8), 968-981, 2016 | 18 | 2016 |
| Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer K Deur, L Mazouin, B Senjean, E Fromager The European Physical Journal B 91, 1-18, 2018 | 17 | 2018 |
| Ensemble Density Functional Theory of Neutral and Charged Excitations: Exact Formulations, Standard Approximations, and Open Questions F Cernatic, B Senjean, V Robert, E Fromager Topics in current chemistry 380, 1-80, 2022 | 15 | 2022 |
| Projected site-occupation embedding theory B Senjean Physical Review B 100 (3), 035136, 2019 | 15 | 2019 |
| Multiple impurities and combined local density approximations in site-occupation embedding theory B Senjean, N Nakatani, M Tsuchiizu, E Fromager Theoretical Chemistry Accounts 137, 1-21, 2018 | 9 | 2018 |
