Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (10)

2020

  1. Siesta: Recent developments and applications

    The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108

1999

  1. Ab initio structural, elastic, and vibrational properties of carbon nanotubes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 59, Núm. 19, pp. 12678-12688

  2. Application of local-spin-density approximation to (formula presented) and tetrahedral (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 15, pp. 10594-10597

  3. Atomic layering at the liquid silicon surface: A first-principles simulation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 24, pp. R16283-R16286

  4. Bonding and diffusion of Ba on a Si(001) reconstructed surface

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 7, pp. 4968-4971

  5. Electronic states in a finite carbon nanotube: A one-dimensional quantum box

    Physical Review Letters, Vol. 82, Núm. 17, pp. 3520-3523

  6. Linear-scaling ab-initio calculations for large and complex systems

    Physica Status Solidi (B) Basic Research, Vol. 215, Núm. 1, pp. 809-817

  7. Structure and thermal stability of gold nanoclusters: The Au38 case

    European Physical Journal D, Vol. 9, Núm. 1-4, pp. 211-215

1998

  1. Lowest energy structures of gold nanoclusters

    Physical Review Letters, Vol. 81, Núm. 8, pp. 1600-1603

1997

  1. Density-functional method for very large systems with LCAO basis sets

    International Journal of Quantum Chemistry, Vol. 65, Núm. 5, pp. 453-461