Shielding of the quadrupole crystalline electric field at a Pr3+ion

Abstract
Shielding of the quadrupole crystalline electric field at the site of the magnetic 4f electron of the Pr3+ ion has been evaluated using the Hartree-Fock functions of Synek and Timmons. The direct contribution to the shielding parameter sigma 2 is estimated as 0.88. Using the available value for the exchange contribution, the net shielding parameter is found to be 0.73. The values for the nuclear quadrupole shielding parameter gamma infinity and the electronic quadrupole polarizability alpha 2 are found to be -60.0 and 29.33 au respectively.