Sandra Gómez

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277 52766

Focus Area

Our research focuses on the understanding of nuclear quantum effects in
excited state dynamics of small molecules. In model systems with reduced
dimensionality where the time-dependent Schrödinger equation can be
solved analytically, quantum effects are always considered and in some
cases observed during deactivation after light excitation. However,
taking into consideration all degrees of freedom while accounting for
quantum effects is still very challenging due to the compromises made
between accuracy and computational effort. In our project we apply and
develop quantum dynamics methods to account for nuclear quantum effects
in higher dimensionality.

  1. S. Gómez, M. Oppel, L. González
    Discrimination of 1,1-difluoroethylene nuclear spin isomers in the presence of non-adiabatic coupling terms
    Chem. Phys. Lett. 683, 205-210 (2017)
  2. J. Albert, M. Falge, S. Gómez, I. R. Sola, H. Hildenbrand, V. Engel
    Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion
    J. Chem. Phys. 143, 041102 (2015)