Excited State Dynamics

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This program employs computational quantum chemical methods to reveal not only how molecules respond on femtosecond timescales to the absorption of a photon of light, but also how this dynamical response may be observed using time-resolved spectroscopic techniques.  Our approach utilizes trajectory simulations in which the time-evolution of the atomic and electronic degrees of freedom of molecules are determined by computing potential energy surfaces 'on-the-fly' using