Spin-orbit coupling shielding

We apply this technique to study the effect of the spin-orbit coupling on an NMR shielding tensor and the shielding polarizability of the xenon atom. The shielding polarizabilities are defined as the second derivatives of nuclear shielding constants with respect to an electric field E... 

Investigations of magnetic properties of solids containing RE s led quite early to the conclusion that 4/-electrons can be considered as highly localized, atomic-like electrons. The influence of the crystalline electric field was expected and shown to be small compared to spin-orbit coupling, mainly because of the shielding effects of outer... 

Numerical ab initio calculations for selected examples with polarized basis sets and Cl of reasonably size confirmed that the size of the matrix elements within the active space matrix is negligible. In contrast, the elements of that involve both the active and inner shells are large, since is primeuily due to the shielding of nuclei by inner-shell electrons [11]. It is therefore common practice in many semiquantitative applications, to account for the effect of the fixed-core electrons by replacing the factor gPgZ r in by the empirical value of the atomic spin-orbit coupling constant valence p orbitals on... 

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