Abstract
This paper is an extension of our work in the evaluation of NMR shifts in paramagnetic transition metal ions using a non-multipole expansion technique. For the first time we present the NMR shifts for a d 1 system without assuming a strong crystal field. This work requires the evaluation of a number of further matrix elements which complete the set required for any d n system. A compact general expression has been developed to obtain analytical expressions for all the required matrix elements. Finally, the NMR shifts in a d 2 system in a strong crystal field of octahedral symmetry are determined and the effect of configurational mixing is examined in detail.
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