Mauricio Rodríguez Mayorga-rekin lankidetzan egindako argitalpenak (11)

2023

  1. Aufbau principle and singlet-triplet gap in spherical Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 3

2021

  1. 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

  1. Natural orbital functional for spin-polarized periodic systems

    Journal of Physics Condensed Matter, Vol. 31, Núm. 16

  2. Partition of optical properties into orbital contributions

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 28, pp. 15380-15391

  3. The Coulomb Hole of the Ne Atom

    ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417

2018

  1. 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

  2. Electron-Pair Distribution in Chemical Bond Formation

    Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923

  3. Phase dilemma in natural orbital functional theory from the N-representability perspective

    European Physical Journal B, Vol. 91, Núm. 6

2017

  1. Comprehensive benchmarking of density matrix functional approximations

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041

  2. On the performance of natural orbital functional approximations in the Hubbard model

    Journal of Physics Condensed Matter, Vol. 29, Núm. 42

2016

  1. The electron-pair density distribution of the 1,3πu excited states of H2

    Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 998-1001