Publicaciones en colaboración con investigadores/as de National Institute for Materials Science (3)

2009

  1. Non-self-consistent density-functional theory exchange-correlation forces for GGA functionals

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 6, pp. 1499-1505

2008

  1. Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST

    Journal of Physics Condensed Matter

2007

  1. Order-N first-principles calculations with the conquest code

    Computer Physics Communications, Vol. 177, Núm. 1-2 SPEC. ISS., pp. 14-18