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Electric field gradients from shifted-nucleus calculations: an alternative to the point charge nuclear quadrupole moment model.

The electric field gradient operator is modeled in terms of potentials due to displaced nuclei. In comparison with the earlier point charge nuclear quadrupole moment model, the present method needs only one parameter to be determined. The numerical stability of the proposed method is illustrated. The shifted-nucleus model is advocated in quasirelativistic calculations as an easy way to avoid the explicit change of picture for the field gradient operator.