All Stories

  1. Scale-free-modeling (harmonic) vibrational frequencies: Assessing accuracy and cost-effectiveness by CBS extrapolation

    Article • The Journal of Chemical Physics, November 2022, American Institute of Physics

    Prof Antonio J.C. Varandas

  2. Optimal basis sets for CBS extrapolation of the correlation energy: oVxZ and oV(x+d)Z

    Article • The Journal of Chemical Physics, April 2019, American Institute of Physics

    Prof Antonio J.C. Varandas, Professor António Joaquim de Campos Varandas

  3. Sub-femtosecond quantum dynamics of the strong-field ionization of water to the X̃2B1 and Ã2A1 states of the cation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Prof Antonio J.C. Varandas