Investigations of hyperfine structure and isotope shift predictions in Hf II

Abstract

AbstractThe fine structure of the even‐parity low configurations of singly ionized hafnium has been reanalyzed by simultaneous parameterization of the one‐ and two‐body interactions for the model space (5d + 6s)3. Using the calculated eigenfunctions, the magnetic‐dipole A hyperfine constants for the whole 37 existing levels of the model space were predicted and compared partially with those obtained using relativistic configuration‐interaction approach. Moreover, combined with experimental data, previously given in the literature, and pseudo‐relativistic Hartree–Fock estimates, the field shifts (FSs) and specific mass shifts (SMSs) of numerous configurations are deduced: FS(5d16s2) = 2265 MHz, FS(5d3) = −1958 MHz, FS(5d16p2) = −1696 MHz, FS(6s26p1) = 3135 MHz, and SMS(5d16s2) = −78 MHz, SMS(5d3) = 64 MHz, SMS(6s26p1) = −228 MHz, referred to 5d26s for the pair 178Hf–180Hf. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012