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Feshbach resonances in D + HD(v = 1, j = 0) reaction at low collision energies.

Yuwen BaiBayaer BurenZijiang YangBoyi ZhouMaodu Chen
Published in: Journal of computational chemistry (2021)
Feshbach resonances in D + HD(v = 1, j = 0) reaction are studied by using the time-independent quantum method. The integral cross section (ICS) results present three Feshbach resonance peaks, which are different from H + HD(v = 1, j = 0) reaction dominated by only one peak. These resonances are attributed to coupling with adiabatic effective potentials of D + HD(v = 1, j = 1) reaction, and the most obvious peak is contributed by J = 1 at 83.16 cm-1 collision energy. For J = 0 and 2, the resonances are related with the same L partial wave and present a double-peak structure in total ICS. The characteristics of product angular distribution show that the resonance of J = 1 is long-lived, while the lifetimes are relatively shorter for the resonance of J = 0 and 2.
Keyphrases
  • energy transfer
  • electron transfer
  • molecular dynamics
  • density functional theory
  • quantum dots
  • ionic liquid