Superoperator Direct Method of Calculating Spectra

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Abstract
The so‐called “direct” method of calculating spectra, developed by Banwell and Primas, yields the transition frequencies directly as eigenvalues of the derivation superoperator belonging to the Hamiltonian. A set of relationships between the elements of the derivation superoperator matrix h D and those appearing in the corresponding energy matrix H is given. The derived rules result in a great simplification of the problem when the method is applied to the calculation of NMR spectra; this is exemplified by treatment of the three‐spin systems.

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