Pauli and ZORA

The calculation of NMR shielding tensors based on DFT and the GIAO approach has been implemented into the Amsterdam Density Functional code ADF (27,25-27). The non-relativistic as well as scalar relativistic (Pauli) implementations are the work of Schreckenbach and Ziegler (5-7) whereas the spin-orbit (Pauli) and ZORA NMR approaches were implemented by Wolff et al. (9,10). For the mathematical and technical details, the reader is referred to the literature. 

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