Publicaciones en las que colabora con Eduard Matito (16)

2024

  1. All-Purpose Measure of Electron Correlation for Multireference Diagnostics

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 2, pp. 721-727

2023

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

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

2019

  1. The Coulomb Hole of the Ne Atom

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

2018

  1. Electron-Pair Distribution in Chemical Bond Formation

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

  2. Tuning the affinity of catechols and salicylic acids towards Al(III): Characterization of Al-chelator interactions

    Dalton Transactions, Vol. 47, Núm. 29, pp. 9592-9607

2017

  1. Comprehensive benchmarking of density matrix functional approximations

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

  2. The aromaticity of dicupra[10]annulenes

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 14, pp. 9669-9675

2016

  1. Exact exchange–correlation functional for the infinitely stretched hydrogen molecule

    Theoretical Chemistry Accounts, Vol. 135, Núm. 9

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

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

2015

  1. H4: A challenging system for natural orbital functional approximations

    Journal of Chemical Physics, Vol. 143, Núm. 16

  2. Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms

    Journal of Chemical Physics, Vol. 143, Núm. 21

  3. The Electronic Structure of the Al3- Anion: Is it Aromatic?

    Chemistry - A European Journal, Vol. 21, Núm. 27, pp. 9610-9614

2014

  1. New approximation to the third-order density. Application to the calculation of correlated multicenter indices

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 8, pp. 3055-3065

  2. Two new constraints for the cumulant matrix

    Journal of Chemical Physics, Vol. 141, Núm. 23

2012

  1. Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2646-2652

2007

  1. New solids based on B12N12 fullerenes

    Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360