Publicaciones en colaboración con investigadoras/es de Ikerbasque, Fundación Vasca para la Ciencia (17)

2023

  1. What can lattice DFT teach us about real-space DFT?

    Journal of Chemical Physics, Vol. 159, Núm. 15

2022

  1. Level occupation switching with density functional theory

    Physical Review B, Vol. 106, Núm. 19

  2. Theory of intermolecular exchange in coupled spin- 12 nanographenes

    Physical Review B, Vol. 106, Núm. 20

2021

  1. Observation of fractional edge excitations in nanographene spin chains

    Nature, Vol. 598, Núm. 7880, pp. 287-292

  2. Publisher Correction: Observation of fractional edge excitations in nanographene spin chains (Nature, (2021), 598, 7880, (287-292), 10.1038/s41586-021-03842-3)

    Nature

  3. Renormalization of spin excitations and Kondo effect in open-shell nanographenes

    Physical Review B, Vol. 104, Núm. 7

2020

  1. Exchange-correlation potentials for multiorbital quantum dots subject to generic density-density interactions and Hund's rule coupling

    Physical Review B, Vol. 102, Núm. 3

  2. Mott Metal-Insulator Transition from Steady-State Density Functional Theory

    Physical Review Letters, Vol. 125, Núm. 21

  3. Spin dependent transmission of nickelocene-Cu contacts probed with shot noise

    Physical Review B, Vol. 101, Núm. 7

2019

  1. Electrically Addressing the Spin of a Magnetic Porphyrin through Covalently Connected Graphene Electrodes

    Nano Letters, Vol. 19, Núm. 5, pp. 3288-3294

  2. Nonequilibrium spectral functions from multiterminal steady-state density functional theory

    Physical Review B, Vol. 100, Núm. 8

2018

  1. Exchange-correlation functionals of i-DFT for asymmetrically coupled leads

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

  2. Many-Body Spectral Functions from Steady State Density Functional Theory

    Nano Letters, Vol. 18, Núm. 3, pp. 2086-2090

  3. Renormalization of single-ion magnetic anisotropy in the absence of the Kondo effect

    Physical Review B, Vol. 97, Núm. 7

  4. Simulation of inelastic spin flip excitations and Kondo effect in STM spectroscopy of magnetic molecules on metal substrates

    Journal of Physics Condensed Matter, Vol. 30, Núm. 35

  5. Spin Control Induced by Molecular Charging in a Transport Junction

    Nano Letters, Vol. 18, Núm. 1, pp. 88-93

2017

  1. Anomalous magnetism in hydrogenated graphene

    Physical Review B, Vol. 96, Núm. 2