Mauricio
Rodríguez Mayorga
Publicaciones en las que colabora con Mauricio Rodríguez Mayorga (11)
2023
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Aufbau principle and singlet-triplet gap in spherical Hooke atoms
International Journal of Quantum Chemistry, Vol. 123, Núm. 3
2021
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Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
Journal of Chemical Theory and Computation, Vol. 17, Núm. 12, pp. 7562-7574
2019
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Natural orbital functional for spin-polarized periodic systems
Journal of Physics Condensed Matter, Vol. 31, Núm. 16
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Partition of optical properties into orbital contributions
Physical Chemistry Chemical Physics, Vol. 21, Núm. 28, pp. 15380-15391
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The Coulomb Hole of the Ne Atom
ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417
2018
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Corrigendum: On the performance of natural orbital functional approximations in the Hubbard model (Journal of Physics Condensed Matter (2017) 29 (425602) DOI: 10.1088/1361-648X/aa80ca)
Journal of Physics Condensed Matter
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Electron-Pair Distribution in Chemical Bond Formation
Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923
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Phase dilemma in natural orbital functional theory from the N-representability perspective
European Physical Journal B, Vol. 91, Núm. 6
2017
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Comprehensive benchmarking of density matrix functional approximations
Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041
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On the performance of natural orbital functional approximations in the Hubbard model
Journal of Physics Condensed Matter, Vol. 29, Núm. 42
2016
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The electron-pair density distribution of the 1,3πu excited states of H2
Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 998-1001