A mountaineering strategy to excited states: Highly accurate reference energies and benchmarks PF Loos, A Scemama, A Blondel, Y Garniron, M Caffarel, D Jacquemin Journal of chemical theory and computation 14 (8), 4360-4379, 2018 | 277 | 2018 |
A mountaineering strategy to excited states: Highly accurate energies and benchmarks for medium sized molecules PF Loos, F Lipparini, M Boggio-Pasqua, A Scemama, D Jacquemin Journal of Chemical Theory and Computation 16 (3), 1711-1741, 2020 | 166 | 2020 |
Reference energies for double excitations PF Loos, M Boggio-Pasqua, A Scemama, M Caffarel, D Jacquemin Journal of chemical theory and computation 15 (3), 1939-1956, 2019 | 158 | 2019 |
Quantum package 2.0: An open-source determinant-driven suite of programs Y Garniron, T Applencourt, K Gasperich, A Benali, A Ferté, J Paquier, ... Journal of chemical theory and computation 15 (6), 3591-3609, 2019 | 146 | 2019 |
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 | 140 | 2022 |
The Bethe–Salpeter equation formalism: From physics to chemistry X Blase, I Duchemin, D Jacquemin, PF Loos The Journal of Physical Chemistry Letters 11 (17), 7371-7382, 2020 | 137 | 2020 |
Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory Y Garniron, A Scemama, PF Loos, M Caffarel The Journal of chemical physics 147 (3), 2017 | 134 | 2017 |
The quest for highly accurate excitation energies: A computational perspective PF Loos, A Scemama, D Jacquemin The journal of physical chemistry letters 11 (6), 2374-2383, 2020 | 128 | 2020 |
Selected configuration interaction dressed by perturbation Y Garniron, A Scemama, E Giner, M Caffarel, PF Loos The Journal of Chemical Physics 149 (6), 2018 | 123 | 2018 |
QUESTDB: A database of highly accurate excitation energies for the electronic structure community M Véril, A Scemama, M Caffarel, F Lipparini, M Boggio‐Pasqua, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1517, 2021 | 119 | 2021 |
Wiley Interdiscip PF Loos, PMW Gill Rev.: Comput. Mol. Sci 6, 410, 2016 | 116 | 2016 |
Two electrons on a hypersphere: a quasiexactly solvable model PF Loos, PMW Gill Physical review letters 103 (12), 123008, 2009 | 114 | 2009 |
Benchmarking TD-DFT and wave function methods for oscillator strengths and excited-state dipole moments R Sarkar, M Boggio-Pasqua, PF Loos, D Jacquemin Journal of Chemical Theory and Computation 17 (2), 1117-1132, 2021 | 112 | 2021 |
The uniform electron gas PF Loos, PMW Gill Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (4), 410-429, 2016 | 95 | 2016 |
A theoretical study of Ru (II) polypyridyl DNA intercalators: structure and electronic absorption spectroscopy of [Ru (phen) 2 (dppz)] 2+ and [Ru (tap) 2 (dppz)] 2+ complexes … D Ambrosek, PF Loos, X Assfeld, C Daniel Journal of inorganic biochemistry 104 (9), 893-901, 2010 | 85 | 2010 |
Reference energies for intramolecular charge-transfer excitations PF Loos, M Comin, X Blase, D Jacquemin Journal of Chemical Theory and Computation 17 (6), 3666-3686, 2021 | 76 | 2021 |
Mountaineering strategy to excited states: Highly accurate energies and benchmarks for exotic molecules and radicals PF Loos, A Scemama, M Boggio-Pasqua, D Jacquemin Journal of chemical theory and computation 16 (6), 3720-3736, 2020 | 72 | 2020 |
Cross-comparisons between experiment, TD-DFT, CC, and ADC for transition energies C Suellen, RG Freitas, PF Loos, D Jacquemin Journal of Chemical Theory and Computation 15 (8), 4581-4590, 2019 | 71 | 2019 |
Exact wave functions of two-electron quantum rings PF Loos, PMW Gill Physical Review Letters 108 (8), 083002, 2012 | 68 | 2012 |
Ground state of two electrons on a sphere PF Loos, PMW Gill Physical Review A—Atomic, Molecular, and Optical Physics 79 (6), 062517, 2009 | 67 | 2009 |