0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/*GW* formalisms for 80 Real-Life CompoundsD Jacquemin, I Duchemin, X Blase Journal of chemical theory and computation 11 (11), 5340-5359, 2015 | 162 | 2015 |

Benchmarking the Bethe–Salpeter formalism on a standard organic molecular set D Jacquemin, I Duchemin, X Blase Journal of chemical theory and computation 11 (7), 3290-3304, 2015 | 139 | 2015 |

The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges X Blase, I Duchemin, D Jacquemin Chemical Society Reviews 47 (3), 1022-1043, 2018 | 108 | 2018 |

Benchmark Many-Body *GW* and Bethe–Salpeter Calculations for Small Transition Metal MoleculesS Körbel, P Boulanger, I Duchemin, X Blase, MAL Marques, S Botti Journal of chemical theory and computation 10 (9), 3934-3943, 2014 | 93 | 2014 |

Excited states properties of organic molecules: from density functional theory to the *GW* and Bethe–Salpeter Green's function formalismsC Faber, P Boulanger, C Attaccalite, I Duchemin, X Blase Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 91 | 2014 |

Short-range to long-range charge-transfer excitations in the zincbacteriochlorin-bacteriochlorin complex: a Bethe-Salpeter study I Duchemin, T Deutsch, X Blase Physical review letters 109 (16), 167801, 2012 | 89 | 2012 |

Few-electron edge-state quantum dots in a silicon nanowire field-effect transistor B Voisin, VH Nguyen, J Renard, X Jehl, S Barraud, F Triozon, M Vinet, ... Nano letters 14 (4), 2094-2098, 2014 | 83 | 2014 |

1.9% bi-axial tensile strain in thick germanium suspended membranes fabricated in optical germanium-on-insulator substrates for laser applications A Gassenq, K Guilloy, G Osvaldo Dias, N Pauc, D Rouchon, JM Hartmann, ... Applied Physics Letters 107 (19), 191904, 2015 | 75 | 2015 |

Fast and accurate electronic excitations in cyanines with the many-body Bethe–Salpeter approach P Boulanger, D Jacquemin, I Duchemin, X Blase Journal of chemical theory and computation 10 (3), 1212-1218, 2014 | 74 | 2014 |

Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches YM Niquet, VH Nguyen, F Triozon, I Duchemin, O Nier, D Rideau Journal of Applied Physics 115 (5), 054512, 2014 | 58 | 2014 |

Combining the Many-Body *GW* Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular SolidsJ Li, G D’avino, I Duchemin, D Beljonne, X Blase The journal of physical chemistry letters 7 (14), 2814-2820, 2016 | 57 | 2016 |

Is the Bethe–Salpeter formalism accurate for excitation energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD D Jacquemin, I Duchemin, X Blase The journal of physical chemistry letters 8 (7), 1524-1529, 2017 | 54 | 2017 |

Germanium under high tensile stress: nonlinear dependence of direct band gap vs strain K Guilloy, N Pauc, A Gassenq, YM Niquet, JM Escalante, I Duchemin, ... ACS photonics 3 (10), 1907-1911, 2016 | 51 | 2016 |

Efficient computation of Hartree–Fock exchange using recursive subspace bisection F Gygi, I Duchemin Journal of chemical theory and computation 9 (1), 582-587, 2013 | 51 | 2013 |

Many-body Green's function study of coumarins for dye-sensitized solar cells C Faber, I Duchemin, T Deutsch, X Blase Physical Review B 86 (15), 155315, 2012 | 51 | 2012 |

First principles calculations of charge transfer excitations in polymer–fullerene complexes: Influence of excess energy D Niedzialek, I Duchemin, TB de Queiroz, S Osella, A Rao, R Friend, ... Advanced Functional Materials 25 (13), 1972-1984, 2015 | 50 | 2015 |

A quantum digital half adder inside a single molecule I Duchemin, C Joachim Chemical physics letters 406 (1-3), 167-172, 2005 | 48 | 2005 |

A scalable and accurate algorithm for the computation of Hartree–Fock exchange I Duchemin, F Gygi Computer Physics Communications 181 (5), 855-860, 2010 | 47 | 2010 |

Many-body Green's function *GW* and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptideC Faber, P Boulanger, I Duchemin, C Attaccalite, X Blase The Journal of chemical physics 139 (19), 11B612_1, 2013 | 46 | 2013 |

Host dependence of the electron affinity of molecular dopants J Li, I Duchemin, OM Roscioni, P Friederich, M Anderson, E Da Como, ... Materials Horizons 6 (1), 107-114, 2019 | 45 | 2019 |