Ivan Duchemin
Ivan Duchemin
L_Sim laboratory (CEA/UJF, INAC, Grenoble)
Verified email at cea.fr
TitleCited byYear
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
1182015
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
1062015
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
762014
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
732014
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
732012
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
682014
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
602014
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
592015
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
512018
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
492012
A quantum digital half adder inside a single molecule
I Duchemin, C Joachim
Chemical physics letters 406 (1-3), 167-172, 2005
472005
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
462014
Calculation of the conductance of a finite atomic line of sulfur vacancies created on a molybdenum disulfide surface
KS Yong, DM Otalvaro, I Duchemin, M Saeys, C Joachim
Physical Review B 77 (20), 205429, 2008
432008
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
422015
Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide
C Faber, P Boulanger, I Duchemin, C Attaccalite, X Blase
The Journal of chemical physics 139 (19), 11B612_1, 2013
402013
Resonant hot charge-transfer excitations in fullerene-porphyrin complexes: Many-body Bethe-Salpeter study
I Duchemin, X Blase
Physical Review B 87 (24), 245412, 2013
402013
A scalable and accurate algorithm for the computation of Hartree–Fock exchange
I Duchemin, F Gygi
Computer Physics Communications 181 (5), 855-860, 2010
392010
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
382016
Mechanical tuning of thermal transport in a molecular junction
Q Li, I Duchemin, S Xiong, GC Solomon, D Donadio
The Journal of Physical Chemistry C 119 (43), 24636-24642, 2015
382015
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
382013
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Articles 1–20