Abstract

The modulation perturbation treatment of Galloway and Dalton is applied to the solution of the stochastic Liouville equation for the spin density matrix which incorporates an anisotropic rotational diffusion operator. Pseudosecular and saturation terms of the spin hamiltonian are explicitly considered as is the interaction of the electron spins with the applied Zeeman modulation field. The modulation perturbation treatment results in a factor of four improvement in computational speed relative to inversion of the full supermatrix with little or no loss of computational accuracy. The theoretical simulations of EPR and ST-EPR spectra are in nearly quantitative agreement with experimental spectra taken under high resolution conditions.

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