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Geometric phase effects on photodissociation dynamics of diatomics.

Zhao-Peng SunChunyang WangWenkai ZhaoChuan-Lu Yang
Published in: The Journal of chemical physics (2018)
We investigated the effect of the geometric phase (GP) on photodissociation dynamics at a light-induced conical intersection (LICI) through exact quantum dynamical calculations. By taking the one-photon photodissociation of H 2 + ionic molecules as an example, we explored the conditions wherein the LICI associated GP affects dissociation dynamics. We found that GP leads to a phase shift between the angular distributions of GP included and GP excluded photofragments. This effect is more pronounced when the energy of the initial vibrational level is above the energy of the LICI point.
Keyphrases
  • density functional theory
  • molecular dynamics
  • monte carlo
  • molecular dynamics simulations
  • high resolution
  • ionic liquid
  • energy transfer