Scalar and spin-dependent relativistic effects on magnetic properties calculated with four-component methods: the nuclear magnetic resonance parameters of the lead halides

Physics – Atomic Physics

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10 pages, 2 figures

Scientific paper

The results of calculations of nuclear magnetic resonance (NMR) parameters for the lead halides is reported in this paper. The results are obtained by using four-component methods. The use of the nonrelativistic L\'evy-Leblond Hamiltonian along with the relativistic Dirac-Coulomb and spin-free ones allows us to discriminate scalar and spin-dependent effects on the parameters. It is found that the wide range of the lead NMR spectra and their large anisotropies are, mainly, due to spin-dependent effects on the paramagnetic term. Among the relativistic scalar corrections, the so-called spin-Zeeman kinetic-energy term turns out to be dominant. The reduced spin-spin coupling constants become proportional to the product of the atomic numbers of the coupled nuclei.

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