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It is demonstrated that pseudocontact shift (PCS), viewed as a scalar or atensor field in three dimensions, obeys an elliptic partial differentialequation with a source term that depends on the Hessian of the unpairedelectron probability density. The equation enables straightforward PCSprediction as well as analysis of experimental PCS data in systems withmultiple and / or distributed unpaired electron centres.

A partial differential equation for pseudocontact shift