Publicacions en col·laboració amb investigadors/es de Universidad de Valladolid (13)

2012

  1. Scattering of a proton with the Li 4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

    Chemical Physics, Vol. 399, pp. 130-134

2007

  1. Density functional study of the structural and electronic properties of aluminium-lithium clusters

    Journal of Computational Methods in Sciences and Engineering, Vol. 7, Núm. 5-6, pp. 355-372

2006

  1. Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience

  2. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

    Journal of Chemical Physics, Vol. 125, Núm. 7

2004

  1. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296

  2. Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation

    European Physical Journal D, Vol. 28, Núm. 2, pp. 211-218

  3. Optical properties of nanostructures from time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience, Vol. 1, Núm. 3, pp. 231-255

  4. Propagators for the time-dependent Kohn-Sham equations

    Journal of Chemical Physics, Vol. 121, Núm. 8, pp. 3425-3433

2003

  1. Octopus: A first-principles tool for excited electron-ion dynamics

    Computer Physics Communications, Vol. 151, Núm. 1, pp. 60-78

  2. Solution of Poisson's equation for finite systems using plane-wave methods

    Canadian Journal of Physics, Vol. 81, Núm. 10, pp. 1151-1164

  3. Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

    Physical Review Letters, Vol. 90, Núm. 25, pp. 4

2002

  1. Can optical spectroscopy directly elucidate the ground state of C20?

    Journal of Chemical Physics, Vol. 116, Núm. 5, pp. 1930-1933

2001

  1. Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in time-dependent density functional theory

    Journal of Chemical Physics, Vol. 115, Núm. 7, pp. 3006-3014