Extended Data Table 2 Parameters of the potential energy surface and parametric grid of simulated trajectories near the conical intersection

From: Few-fs resolution of a photoactive protein traversing a conical intersection

  1. a, Parameters of the potential energy surface near the conical intersection derived in this work. Radius \({r}_{0}\) (dimensionless), and angle \({\theta }_{0}\) (degrees) together specify the initial position of wave packet. λ: coupling strength; ω: normalization frequency (kinetic energy); γ1,2: frequency on respective PES. Superscript Q indicates the accuracy is limited by the spacing in the parametric grid of simulated data. Unless stated otherwise, where appropriate, parameters in atomic units. b, The parametric grid used to simulate dynamical trajectories. ω: normalization frequency; λ: coupling strength; γ1,2: frequency on respective PES; angle \({\theta }_{0}\) (in degrees) and radius \({r}_{0}\) (dimensionless) are the initial position of the wave packet. Except for \({\theta }_{0}\) with six different values, parameters take 10 values uniformly distributed in their respective intervals. Unless otherwise specified, all parameters in atomic units.
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