An improved semiclassical theory of radical pair recombination reactions.

  title={An improved semiclassical theory of radical pair recombination reactions.},
  author={David E. Manolopoulos and Peter Hore},
  journal={The Journal of chemical physics},
  volume={139 12},
We present a practical semiclassical method for computing the electron spin dynamics of a radical in which the electron spin is hyperfine coupled to a large number of nuclear spins. This can be used to calculate the singlet and triplet survival probabilities and quantum yields of radical recombination reactions in the presence of magnetic fields. Our method differs from the early semiclassical theory of Schulten and Wolynes [J. Chem. Phys. 68, 3292 (1978)] in allowing each individual nuclear… 

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