Publicaciones en colaboración con investigadores/as de University of California, Santa Barbara (10)

2009

  1. Accurate Evaluation of Vibrational Nonlinear Optical Properties

    COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2

  2. Accurate evaluation of vibrational nonlinear optical properties

    AIP Conference Proceedings

2007

  1. Treatment of vibronic interactions using variational methods for nuclear motion

    AIP Conference Proceedings

  2. Variational calculation of static and dynamic vibrational nonlinear optical properties

    Journal of Chemical Physics, Vol. 127, Núm. 8

2005

  1. Calculation of Franck-Condon factors including anharmonicity: Simulation of the C 2 H 4 + X̃ 2B 3u←C 2 H 4X̃ 1 Ag band in the photoelectron spectrum of ethylene

    Journal of Chemical Physics, Vol. 122, Núm. 18

  2. Characterization of the stereochemical selectivity of β-hairpin formation by molecular dynamics simulations

    Journal of Physical Chemistry B, Vol. 109, Núm. 3, pp. 1281-1288

  3. Variational calculation of vibrational linear and nonlinear optical properties

    Journal of Chemical Physics, Vol. 122, Núm. 20

2004

  1. Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules

    Journal of Chemical Physics, Vol. 120, Núm. 14, pp. 6346-6355

2003

  1. Basis set and electron correlation effects on ab initio electronic and vibrational nonlinear optical properties of conjugated organic molecules

    Journal of Chemical Physics, Vol. 118, Núm. 2, pp. 711-718

2002

  1. Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties

    Journal of Chemical Physics, Vol. 116, Núm. 13, pp. 5363-5373