Abstract
Analytical computation of the effect of radiofrequency pulses and free evolution between pulses are studied in a spin system dominated by the nuclear electric quadrupole interaction using ‘symbolic computer algebra’. The program MAPLE is used to compute spin density matrices for single spin systems with spin magnitude I = 1, 3/2, 2 and 5/2. In all cases except I = 5/2, the pure nuclear electric quadrupole Hamiltonian with arbitrary asymmetry parameter η is used to obtain results for a single pulse and an evolution period following the pulse. In the spin 5/2 system η is set to zero. The calculations are done using a simple matrix representation of the density operator and the Baker-Campbell-Hausdorff formula. In addition, the validity of dropping non-secular (i.e., time-dependent) terms from the Hamiltonian for the pulse in the quadrupole interaction frame is examined for the spin 1 case using a truncated Magnus expansion.
Published Version
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