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Juan Felipe Huan Lew Yee
Juan Felipe Huan Lew Yee
Donostia International Physics Center (DIPC)
Preverjeni e-poštni naslov na dipc.org
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Leto
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
192021
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
162022
Outstanding improvement in removing the delocalization error by global natural orbital functional
JFH Lew-Yee, M Piris, JM Del Campo
The Journal of Chemical Physics 158 (8), 2023
102023
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
Charge delocalization error in Piris natural orbital functionals
JFH Lew-Yee, J M del Campo
The Journal of Chemical Physics 157 (10), 2022
72022
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 20 (5), 2140-2151, 2024
62024
Correlation balance for describing carbenes: An NOF study
L Franco, JFH Lew-Yee, J M del Campo
AIP Advances 13 (6), 2023
62023
Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
L Franco, IA Bonfil-Rivera, JFH Lew-Yee, M Piris, J M del Campo, ...
The Journal of chemical physics 160 (24), 2024
52024
Advancing Natural Orbital Functional Calculations Through Deep Learning-Inspired Techniques for Large-Scale Strongly Correlated Electron Systems
JFH Lew-Yee, JM del Campo, M Piris
arXiv preprint arXiv:2411.18493, 2024
12024
Efficient Energy Measurement of Chemical Systems via One-Particle Reduced Density Matrix: A NOF-VQE Approach for Optimized Sampling
JFH Lew-Yee, M Piris
Journal of Chemical Theory and Computation, 2025
2025
Enhancing the Computational Efficiency of the DoNOF Program through a New Orbital Sorting Scheme
É Boutou, JFH Lew-Yee, JM Mercero, M Piris
arXiv preprint arXiv:2502.01786, 2025
2025
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