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Huan Lew-Yee, Juan Felipe
16  results:
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1

Softmax parameterization of the occupation numbers for natu..:

Franco, Lizeth ; Bonfil-Rivera, Iván A. ; Huan Lew-Yee, Juan Felipe...
The Journal of Chemical Physics.  160 (2024)  24 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Outstanding improvement in removing the delocalization erro..:

Huan Lew-Yee, Juan Felipe ; Piris, Mario ; del Campo, Jorge M.
The Journal of Chemical Physics.  158 (2023)  8 - p. , 2023
Link: https://doi.org/10.1063/..
 
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3

Excited States by Coupling Piris Natural Orbital Functional..:

Lew-Yee, Juan Felipe Huan ; Bonfil-Rivera, Iván Alejandro ; Piris, Mario.
Journal of Chemical Theory and Computation.  20 (2024)  5 - p. 2140-2151 , 2024
Link: https://doi.org/10.1021/..
 
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4

Charge delocalization error in Piris natural orbital functi..:

Lew-Yee, Juan Felipe Huan ; M. del Campo, Jorge
The Journal of Chemical Physics.  157 (2022)  10 - p. , 2022
Link: https://doi.org/10.1063/..
 
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5

Electron Correlation in the Iron(II) Porphyrin by Natural O..:

Lew-Yee, Juan Felipe Huan ; del Campo, Jorge M. ; Piris, Mario
Journal of Chemical Theory and Computation.  19 (2022)  1 - p. 211-220 , 2022
Link: https://doi.org/10.1021/..
 
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6

Resolution of the identity approximation applied to PNOF co..:

Lew-Yee, Juan Felipe Huan ; Piris, Mario ; M. del Campo, Jorge
The Journal of Chemical Physics.  154 (2021)  6 - p. , 2021
Link: https://doi.org/10.1063/..
 
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7

Asymmetric Density Fitting with Modified Cholesky Decomposi..:

Lew-Yee, Juan Felipe Huan ; Flores-Moreno, Roberto ; Morales, José Luis.
Journal of Chemical Theory and Computation.  16 (2020)  3 - p. 1597-1605 , 2020
Link: https://doi.org/10.1021/..
 
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8

Excited states by coupling Piris natural orbital functional..:

Lew-Yee, Juan Felipe Huan ; Bonfil-Rivera, Iván Alejandro ; Piris, Mario.
http://arxiv.org/abs/2311.05504.  , 2023
Link: http://arxiv.org/abs/231..
 
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9

Electron correlation in the Iron(II) Porphyrin by NOF appro..:

Lew-Yee, Juan Felipe Huan ; del Campo, Jorge M ; Piris, Mario
http://arxiv.org/abs/2212.01640.  , 2022
Link: http://arxiv.org/abs/221..
 
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10

Electron Correlation in the Iron(II) Porphyrin by Natural O..:

Lew-Yee, Juan Felipe Huan ; del Campo, Jorge M ; Piris, Mario
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9996833/.  , 2022
Link: http://www.ncbi.nlm.nih...
 
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11

Outstanding Improvement in Removing the Delocalization Erro..:

Lew-Yee, Juan Felipe Huan ; Piris, Mario ; del Campo, Jorge M
http://arxiv.org/abs/2212.01597.  , 2022
Link: http://arxiv.org/abs/221..
 
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12

Resolution of the identity approximation applied to PNOF co..:

Lew-Yee, Juan Felipe Huan ; Piris, Mario ; del Campo, Jorge M
http://arxiv.org/abs/2012.15662.  , 2020
Link: http://arxiv.org/abs/201..
 
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13

Excited States by Coupling Piris Natural Orbital Functional..:

Juan Felipe Huan Lew-Yee ; Iván Alejandro Bonfil-Rivera ; Mario Piris.
doi:10.1021/acs.jctc.3c01194.s001.  , 2024
Link: https://doi.org/10.1021/..
 
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14

Excited States by Coupling Piris Natural Orbital Functional..:

Juan Felipe Huan Lew-Yee ; Iván Alejandro Bonfil-Rivera ; Mario Piris.
doi:10.1021/acs.jctc.3c01194.s001.  , 2024
Link: https://doi.org/10.1021/..
 
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15

felipelewyee/PyNOF: PyNOF v0.1:

Juan Felipe Huan Lew Yee
https://github.com/felipelewyee/PyNOF/tree/v0.1.  , 2022
Link: https://zenodo.org/recor..
 
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