The Journal of Chemical Physics · 1978 · 392 citations · 6 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryQuantum MechanicsElectron CorrelationExchange InteractionsHyperfine StructureNuclear SpinSpin DynamicsSpin-orbit CouplingNuclear Spin DynamicsRadical Pair DynamicsRotational DynamicsSemiclassical AnalysisSemiclassical ApproximationSpin DiffusionSpin RelaxationTime Evolution Of States
Electron spin dynamics in radicals are driven by hyperfine coupling to nuclear spins and are modeled semiclassically. The authors model electron spin precession around fixed classical nuclear spin vectors, average over configurations to obtain the spin correlation tensor, and incorporate electron hopping via a rotational‑diffusion framework to study singlet‑state radical pair dynamics.
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(0)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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Statistical mechanics of chain molecules
Paul J. Flory, M.V. Volkenstein · Biopolymers · 1969 · 6.5K citations
Natural Sciences, Chemistry, Physics +14
On the Rotational Diffusion of Molecules
Roy G. Gordon · The Journal of Chemical Physics · 1966 · 606 citations
Natural Sciences, Chemistry, Physics +14
Hans‐Joachim Werner, Z. Schulten, Klaus Schulten · The Journal of Chemical Physics · 1977 · 165 citations
Natural Sciences, Chemistry, Physics +14