Publikationen in Zusammenarbeit mit Forschern von Centro de Física de Materiales (8)

2013

  1. Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory

    ChemPhysChem, Vol. 14, Núm. 7, pp. 1363-1376

2009

  1. Optical and magnetic properties of boron fullerenes

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 22, pp. 4523-4527

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

2005

  1. Optical absorption of the blue fluorescent protein: A first-principles study

    Journal of the American Chemical Society, Vol. 127, Núm. 35, pp. 12329-12337

2004

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

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

2003

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

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

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

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