Publicaciones en colaboración con investigadoras/es de National Hellenic Research Foundation (9)

2018

  1. Supramolecular-Enhanced Charge Transfer within Entangled Polyamide Chains as the Origin of the Universal Blue Fluorescence of Polymer Carbon Dots

    Journal of the American Chemical Society, Vol. 140, Núm. 40, pp. 12862-12869

2015

  1. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?

    Journal of Chemical Physics, Vol. 143, Núm. 5

2014

  1. Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 90, Núm. 3

  2. Quasi-particle energy spectra in local reduced density matrix functional theory

    Journal of Chemical Physics, Vol. 141, Núm. 16

2011

  1. Fractional spin in reduced density-matrix functional theory

    Journal of Chemical Physics, Vol. 135, Núm. 5

2010

  1. Discontinuities of the chemical potential in reduced density matrix functional theory

    Zeitschrift fur Physikalische Chemie, Vol. 224, Núm. 3-4, pp. 467-480

  2. Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory

    Journal of Chemical Physics, Vol. 132, Núm. 8

2009

  1. A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems

    Journal of Chemical Physics, Vol. 130, Núm. 6

  2. Discontinuity of the chemical potential in reduced-density-matrix- functional theory for open-shell systems

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 79, Núm. 2