A laboratory frame density matrix for ultrafast quantum molecular dynamics.

  title={A laboratory frame density matrix for ultrafast quantum molecular dynamics.},
  author={Margaret L. Gregory and Simon P. Neville and Michael S. Schuurman and Varun Makhija},
  journal={The Journal of chemical physics},
  volume={157 16},
In most cases, the ultrafast dynamics of resonantly excited molecules are considered and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here, we provide a formalism in terms of a lab frame density matrix, which connects quantum dynamics in the molecular frame to those in the laboratory frame, providing a transparent link between computation and measurement. The formalism reveals that in any such experiment, the molecular frame dynamics… 

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