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Juan Felipe Huan Lew Yee
Juan Felipe Huan Lew Yee
Donostia International Physics Center
Adresse e-mail validée de dipc.org
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Resolution of the identity approximation applied to PNOF correlation calculations
JFH Lew-Yee, M Piris, J M del Campo
The Journal of Chemical Physics 154 (6), 2021
122021
Asymmetric density fitting with modified Cholesky decomposition applied to second-order electron propagator
JFH Lew-Yee, R Flores-Moreno, JL Morales, J M. del Campo
Journal of Chemical Theory and Computation 16 (3), 1597-1605, 2020
92020
Electron correlation in the iron (II) porphyrin by natural orbital functional approximations
JFH Lew-Yee, JM Del Campo, M Piris
Journal of Chemical Theory and Computation 19 (1), 211-220, 2022
72022
Outstanding improvement in removing the delocalization error by global natural orbital functional
JF Huan Lew-Yee, M Piris, JM Del Campo
The Journal of Chemical Physics 158 (8), 2023
62023
Charge delocalization error in Piris natural orbital functionals
JFH Lew-Yee, J M del Campo
The Journal of Chemical Physics 157 (10), 2022
62022
Correlation balance for describing carbenes: An NOF study
L Franco, JFH Lew-Yee, J M del Campo
AIP Advances 13 (6), 2023
22023
Machine learning activation function parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
L Franco, IA Bonfil-Rivera, JF Lew-Yee, M Piris, JM del Campo, ...
arXiv preprint arXiv:2403.09463, 2024
2024
Excited States by Coupling Piris Natural Orbital Functionals with the Extended Random-Phase Approximation
JFH Lew-Yee, IA Bonfil-Rivera, M Piris, J M. del Campo
Journal of Chemical Theory and Computation, 2024
2024
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