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Constructive Quantum Interference in Photochemical Reactions.

Sumit Suresh KaleYong P ChenSabre Kais
Published in: Journal of chemical theory and computation (2021)
Interferences emerge when multiple pathways coexist together, leading toward the same result. Here, we report a theoretical study for a reaction scheme that leads to constructive quantum interference in a photoassociation (PA) reaction of a 87Rb Bose-Einstein condensate where the reactant spin state is prepared in a coherent superposition of multiple bare spin states. This is achieved by changing the reactive scattering channel in the PA reaction. As the origin of coherent control comes from the spin part of the wavefunction, we show that it is sufficient to use radio frequency (RF) coupling to achieve the superposition state. We simulate the RF coupling on a quantum processor (IBMQ Lima), and our results show that interferences can be used as a resource for the coherent control of photochemical reactions. The approach is general and can be employed to study a wide spectrum of chemical reactions in the ultracold regime.
Keyphrases
  • room temperature
  • molecular dynamics
  • density functional theory
  • electron transfer
  • single molecule
  • monte carlo
  • energy transfer
  • transition metal
  • visible light