Radially dependent antishielding factor γ(r) of the Sc3+ ion in the solid state
B B Panigrahi N C Mohapatra S Hafizuddin
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We report the results of our calculation of γ(r), the radially dependent antishielding factor of Sc3+ ion in the crytalline environment. Watson sphere model is used to approximately represent the crystal potential. Differential equations resulting from non-orthogonal Hartree-Fock perturbation theory are solved to obtain perturbations to core electron states. Contribution to γ(r) from electron self-consistency effect has been evaluated by using the latter wave-functions in the many-body expression of Schmidtet al.
B B Panigrahi1 N C Mohapatra1 2 S Hafizuddin1 3
Volume 97, 2023
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