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Yann Damour
Yann Damour
PhD student
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The performance of CIPSI on the ground state electronic energy of benzene
PF Loos, Y Damour, A Scemama
The Journal of Chemical Physics 153 (17), 2020
352020
Accurate full configuration interaction correlation energy estimates for five-and six-membered rings
Y Damour, M Véril, F Kossoski, M Caffarel, D Jacquemin, A Scemama, ...
The Journal of Chemical Physics 155 (13), 2021
212021
Hierarchy configuration interaction: Combining seniority number and excitation degree
F Kossoski, Y Damour, PF Loos
The journal of physical chemistry letters 13 (19), 4342-4349, 2022
172022
SnCN2: A Carbodiimide with an Innovative Approach for Energy Storage Systems and Phosphors in Modern LED Technology
C Braun, L Mereacre, W Hua, T Stürzer, I Ponomarev, P Kroll, A Slabon, ...
ChemElectroChem 7 (22), 4550-4561, 2020
142020
Ground-and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality
Y Damour, R Quintero-Monsebaiz, M Caffarel, D Jacquemin, F Kossoski, ...
Journal of Chemical Theory and Computation 19 (1), 221-234, 2022
132022
State-Specific Coupled-Cluster Methods for Excited States
Y Damour, A Scemama, D Jacquemin, F Kossoski, PF Loos
arXiv preprint arXiv:2401.05048, 2024
22024
Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy
PF Loos, Y Damour, A Ammar, M Caffarel, F Kossoski, A Scemama
arXiv preprint arXiv:2402.13111, 2024
2024
Cover Feature: SnCN2: A Carbodiimide with an Innovative Approach for Energy Storage Systems and Phosphors in Modern LED Technology (ChemElectroChem …
C Braun, L Mereacre, W Hua, T Stürzer, I Ponomarev, P Kroll, A Slabon, ...
ChemElectroChem 7 (22), 4504-4504, 2020
2020
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