Aymeric Blondel

11
Documents

Publications

Publications

Deposit thumbnail

QUEST Database of Highly-Accurate Excitation Energies

Pierre-François Loos , Martial Boggio-Pasqua , Aymeric Blondel , Filippo Lipparini , Denis Jacquemin

Journal of Chemical Theory and Computation, 2025, 21 (16), pp.8010-8033. ⟨10.1021/acs.jctc.5c00975⟩

Article dans une revue hal-05239301v1
Deposit thumbnail

How to actively learn chemical reactions yields in realtime using stopping criteria †

Vincent Delmas , Denis Jacquemin , Aymeric Blondel , Morgane Vacher , Adèle Laurent

Reaction Chemistry & Engineering, 2024, 9 (5), pp.1206-1215. ⟨10.1039/D3RE00628J⟩

Article dans une revue hal-04753568v1

Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods

Iryna Knysh , Filippo Lipparini , Aymeric Blondel , Ivan Duchemin , Xavier Blase et al.

Journal of Chemical Theory and Computation, 2024, 20 (18), pp.8152-8174. ⟨10.1021/acs.jctc.4c00906⟩

Article dans une revue hal-04708776v1
Deposit thumbnail

A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4

Pierre-Francois Loos , Filippo Lipparini , Devin A. Matthews , Aymeric Blondel , Denis Jacquemin

Journal of Chemical Theory and Computation, 2022, 18 (7), pp.4418-4427. ⟨10.1021/acs.jctc.2c00416⟩

Article dans une revue hal-03655837v1
Deposit thumbnail

A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules

Amara Chrayteh , Aymeric Blondel , Pierre-Francois Loos , Denis Jacquemin

Journal of Chemical Theory and Computation, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩

Article dans une revue hal-03018539v1
Deposit thumbnail

A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks

Pierre-Francois Loos , Anthony Scemama , Aymeric Blondel , Yann Garniron , Michel Caffarel et al.

Journal of Chemical Theory and Computation, 2018, 14 (8), pp.4360 - 4379. ⟨10.1021/acs.jctc.8b00406⟩

Article dans une revue hal-01858532v1

Benchmark of Bethe-Salpeter for Triplet Excited-States

Denis Jacquemin , Ivan Duchemin , Aymeric Blondel , Xavier Blase

Journal of Chemical Theory and Computation, 2017, 13 (2), pp.767 - 783. ⟨10.1021/acs.jctc.6b01169⟩

Article dans une revue hal-01625571v1

Assessment of the Accuracy of the Bethe–Salpeter (BSE/ GW ) Oscillator Strengths

Denis Jacquemin , Ivan Duchemin , Aymeric Blondel , Xavier Blase

Journal of Chemical Theory and Computation, 2016, 12 (8), pp.3969 - 3981. ⟨10.1021/acs.jctc.6b00419⟩

Article dans une revue hal-01633513v1

Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes

Adele D. Laurent , Aymeric Blondel , Denis Jacquemin

Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, 134 (6), ⟨10.1007/s00214-015-1676-9⟩

Article dans une revue hal-01389008v1

Excited-State Geometries of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model

Siwar Chibani , Adele D. Laurent , Aymeric Blondel , Benedetta Mennucci , Denis Jacquemin

Journal of Chemical Theory and Computation, 2014, 10 (5), pp.1848-1851. ⟨10.1021/ct5001507⟩

Article dans une revue hal-01389013v1