| 0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds D Jacquemin, I Duchemin, X Blase Journal of chemical theory and computation 11 (11), 5340-5359, 2015 | 282 | 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 | 226 | 2018 |
| 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 | 210 | 2015 |
| 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 | 171 | 2020 |
| Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter Green's function formalisms C Faber, P Boulanger, C Attaccalite, I Duchemin, X Blase Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 134 | 2014 |
| Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules S Körbel, P Boulanger, I Duchemin, X Blase, MAL Marques, S Botti Journal of chemical theory and computation 10 (9), 3934-3943, 2014 | 122 | 2014 |
| Short-Range to Long-Range Charge-Transfer Excitations in the<? format?> Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study I Duchemin, T Deutsch, X Blase Physical review letters 109 (16), 167801, 2012 | 121 | 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 | 119 | 2014 |
| 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 | 106 | 2014 |
| 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 | 104 | 2017 |
| 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), 2015 | 95 | 2015 |
| Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids J Li, G D’avino, I Duchemin, D Beljonne, X Blase The Journal of Physical Chemistry Letters 7 (14), 2814-2820, 2016 | 89 | 2016 |
| Benchmark of bethe-salpeter for triplet excited-states D Jacquemin, I Duchemin, A Blondel, X Blase Journal of Chemical Theory and Computation 13 (2), 767-783, 2017 | 82 | 2017 |
| 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 | 81 | 2019 |
| Cubic-Scaling All-Electron GW Calculations with a Separable Density-Fitting Space–Time Approach I Duchemin, X Blase Journal of Chemical Theory and Computation 17 (4), 2383-2393, 2021 | 79 | 2021 |
| Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory J Li, G d'Avino, I Duchemin, D Beljonne, X Blase Physical Review B 97 (3), 035108, 2018 | 73 | 2018 |
| 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), 2014 | 73 | 2014 |
| The Bethe–Salpeter formalism with polarisable continuum embedding: Reconciling linear-response and state-specific features I Duchemin, CA Guido, D Jacquemin, X Blase Chemical science 9 (19), 4430-4443, 2018 | 72 | 2018 |
| 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 | 72 | 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 | 70 | 2013 |
Xavier BlaseInstitut Néel, CNRS and University Grenoble Alpes, Grenoble, FranceVahvistettu sähköpostiosoite verkkotunnuksessa neel.cnrs.fr