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QUEST Database of Highly-Accurate Excitation Energies
Pierre-François Loos
,
Martial Boggio-Pasqua
,
Aymeric Blondel
,
Filippo Lipparini
,
Denis Jacquemin
Article dans une revue
hal-05239301v1
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How to actively learn chemical reactions yields in realtime using stopping criteria †
Vincent Delmas
,
Denis Jacquemin
,
Aymeric Blondel
,
Morgane Vacher
,
Adèle Laurent
Article dans une revue
hal-04753568v1
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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.
Article dans une revue
hal-04708776v1
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A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre-Francois Loos
,
Filippo Lipparini
,
Devin A. Matthews
,
Aymeric Blondel
,
Denis Jacquemin
Article dans une revue
hal-03655837v1
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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
Article dans une revue
hal-03018539v1
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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.
Article dans une revue
hal-01858532v1
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Benchmark of Bethe-Salpeter for Triplet Excited-States
Denis Jacquemin
,
Ivan Duchemin
,
Aymeric Blondel
,
Xavier Blase
Article dans une revue
hal-01625571v1
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Assessment of the Accuracy of the Bethe–Salpeter (BSE/ GW ) Oscillator Strengths
Denis Jacquemin
,
Ivan Duchemin
,
Aymeric Blondel
,
Xavier Blase
Article dans une revue
hal-01633513v1
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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
Article dans une revue
hal-01389008v1
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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
Article dans une revue
hal-01389013v1
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