Sensitivity of femtosecond quantum dynamics and control with respect to non-adiabatic couplings: Model simulations for the cis–trans isomerization of the dideuterated methaniminium cation (original) (raw)

Chemical Physics, 2008

Abstract

We investigate the non-radiative decay in the photo-isomerization of the dideuterated methaniminium cation HDN+CDH by means of quantum dynamical simulations of the laser driven torsion. For the present model, the torsional dynamics is nearly adiabatic, but this is shown to be extremely sensitive to the large non-adiabatic coupling elements close to the conical intersection as well as to the apparently

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