Effective charge tensors of atoms in a molecule and electric dipole shielding of nuclei

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Abstract
Exact formulas are derived for the electric shielding tensors of nuclei in a molecule bathed in a static, uniform, electric field. It is shown that the derived relations hold also in the coupled Hartree‐Fock approximation. The resulting equations should provide useful checks on the accuracy of the first‐order induced electron density, a quantity required for the calculation of the electric dipole polarizability tensor. A tensor quantity, which is a function of the electric dipole moment and its derivatives with respect to the internal coordinates, is proposed as an effective charge of an atom in a molecule.

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