TCB Publications - Abstract

Klaus Schulten and Peter G. Wolynes. Semiclassical description of electron spin motion in radicals including the effect of electron hopping. Journal of Chemical Physics, 68:3292-3297, 1978.

SCHU78D The coherent electron spin motion in radicals induced by the hyperfine coupling to nuclear spins is described semiclassically. The nuclear spins are treated as constant classical vectors around which the electron spin precesses. The ensemble average over all nuclear spin configurations is taken yielding the electron spin correlation tensor <S(O)S(t)>. Borrowing from the theory of rotational diffusion the effect of electron hopping between molecules on the spin correlation tensor is described. The treatment is applied to the time evolution of the electron spin state of a radical pair initially prepared in a singlet state.

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