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Area of Science:

  • Quantum dynamics
  • Molecular spectroscopy
  • Ultrafast phenomena

Background:

  • Ultrafast molecular dynamics are typically computed in the molecular frame but measured in the laboratory frame.
  • A gap exists between theoretical computations and experimental measurements due to differing reference frames.

Purpose of the Study:

  • To develop a formalism connecting molecular frame quantum dynamics to laboratory frame experiments.
  • To provide a transparent link between theoretical computations and experimental measurements.
  • To enable experimental imaging of molecular frame vibronic dynamics.

Main Methods:

  • Development of a lab frame density matrix formalism.
  • Introduction of molecular angular distribution moments.
  • Definition of molecular frame quantum tomography.

Main Results:

  • The formalism connects molecular and laboratory frames for quantum dynamics.
  • Molecular frame dynamics are shown to vary with molecular orientation.
  • Orientation-averaged methods obscure experimentally accessible coherences.
  • Molecular angular distribution moments offer a better representation of experimental data.

Conclusions:

  • The new formalism bridges the gap between theory and experiment in ultrafast molecular dynamics.
  • Molecular frame quantum tomography can experimentally image vibronic dynamics.
  • This approach allows full characterization of molecular frame quantum dynamics in any orientation.