Core MO contribution to the relativistic corrections of in noble gases. A power law behavior is observed in both linear response corrections ( and ) and mean expectation values (, ). The orbital contribution to the is also depicted.
Calculations of the relativistic corrections to the diamagnetic nuclear magnetic shielding arising from the LR-ESC formalism for Ar and Xe with different basis sets (values given in ppm).
Relativistic corrections to the diamagnetic part of the isotropic shielding using the LR-ESC formalism and four-component linear response methods. All values given in ppm.
Second-order contributions to relativistic corrections of the diamagnetic part of the isotropic shielding . All values are given in ppm. In parenthesis are results taken from Table 1 of Ref. 17.
First-order contributions to relativistic corrections of the diamagnetic part of the isotropic shielding . All values are given in ppm. Off-diagonal contributions included in the total values are not shown.
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