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Second-Order Magnetic Properties in Paramagnetic Molecules From a Current Density Formulation Including Scalar Relativistic Effects

Summa, Francesco Ferdinando et al.
arXiv (All) · Papers
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quantum-physics
This work presents the theoretical background for the computation of nuclear magnetic shielding, nuclear hyperfine and magnetizability tensors of paramagnetic molecules, using a magnetically induced current density framework to account for both orbital and spin contributions. The resulting magnetiza
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