Publicaciones en colaboración con investigadoras/es de Centro de Investigación Cooperativa en Nanociencias (34)

2023

  1. Construction of a semilocal exchange density functional from a three-dimensional electron gas collapsing to two dimensions

    Physical Review B, Vol. 108, Núm. 11

  2. Orbital-free density-functional theory for metal slabs

    Journal of Chemical Physics, Vol. 159, Núm. 16

  3. Towards a universal exchange enhancement factor in density functional theory

    Physical Review B, Vol. 107, Núm. 19

2022

  1. Semilocal approximations to the Kohn-Sham exchange potential as applied to a metal surface

    Physical Review B, Vol. 105, Núm. 8

2018

  1. Dispersion-corrected PBEsol exchange-correlation functional

    Physical Review B, Vol. 98, Núm. 21

  2. Gradient-dependent exchange-correlation kernel for materials optical properties

    Physical Review B, Vol. 98, Núm. 8

  3. Solid-state testing of a van-der-Waals-corrected exchange-correlation functional based on the semiclassical atom theory

    Computation, Vol. 6, Núm. 1

2016

  1. Dielectric screening and plasmon resonances in bilayer graphene

    Physical Review B, Vol. 93, Núm. 3

  2. Kernel-corrected random-phase approximation for the uniform electron gas and jellium surface energy

    Physical Review B, Vol. 94, Núm. 16

  3. Plasmon Modes of Graphene Nanoribbons with Periodic Planar Arrangements

    Physical Review Letters, Vol. 117, Núm. 11

  4. Semilocal density functional theory with correct surface asymptotics

    Physical Review B, Vol. 93, Núm. 11

2014

  1. Acoustic plasmons in extrinsic free-standing graphene

    New Journal of Physics, Vol. 16

2012

  1. Momentum-space finite-size corrections for quantum Monte Carlo calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 12

  2. Spherical-shell model for the vanderWaals coefficients between fullerenes and/or nearly spherical nanoclusters

    Journal of Physics Condensed Matter, Vol. 24, Núm. 42

  3. Van der waals coefficients for nanostructures: Fullerenes defy conventional wisdom

    Physical Review Letters, Vol. 109, Núm. 23

2011

  1. Adiabatic-connection-fluctuation-dissipation approach to long-range behavior of exchange-correlation energy at metal surfaces: A numerical study for jellium slabs

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 7

2010

  1. Benchmark quantum Monte Carlo calculations of the ground-state kinetic, interaction and total energy of the three-dimensional electron gas

    Journal of Physics Condensed Matter, Vol. 22, Núm. 6

  2. Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 24

  3. Localized versus extended systems in density functional theory: Some lessons from the Kohn-Sham exact exchange potential

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 12

2009

  1. Exchange-correlation hole of a generalized gradient approximation for solids and surfaces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 7