Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (14)

2020

  1. Siesta: Recent developments and applications

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

  2. The CECAM electronic structure library and the modular software development paradigm

    The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117

2000

  1. Absence of dc-conductivity in λ-DNA

    Physical Review Letters, Vol. 85, Núm. 23, pp. 4992-4995

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. Energetics of the oxidation and opening of a carbon nanotube

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 4, pp. R2208-R2211

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

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

  8. 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

1996

  1. Mixed approach to incorporate self-consistency into order-N LCAO methods

    Materials Research Society Symposium - Proceedings