Core-polarization on hyperfine interaction constants in the metastable 3d 2 state of 45ScII

Abstract

Multi-configuration Hartree-Fock and configuration interaction calculations of hyperfine structure constants for 3d 2 states of ScII are reported. It is very important to consider core-polarization (especially spin-polarization) and core-core correlation as well as the valence correlation in accurate calculations of hyperfine constants. The relativistic corrections (through the Breit-Pauli approximation) as well as finite-nuclear-mass and finite-nuclear-size corrected values of the hyperfine constants for ScII are in good agreement with the most accurate experimental values within 5%.