Antishielding and Contracted Wave Functions

Abstract

The antishielding factors, ${\gamma }_{\infty }$, of several contracted negative ions are calculated and compared to the apparent experimental values. Although the use of contracted wave functions results in considerably smaller ${\gamma }_{\infty }\text{'}\mathrm{s}$, the agreement is still not encouraging for the negative ions. Interrelations are found among the wave functions contracted by different means. Also, ${\gamma }_{\infty }$ of several closed-shell positive ions and two ${}_{}{}^6{}_{}{}^{}S$ state ions (${\mathrm{Mn}}^{+2\mathrm{}}$ and ${\mathrm{Fe}}^{+3\mathrm{}}$) are calculated so that information from measured quadrupole coupling constants can be obtained. These positive-ion results with other published values should enable ${\gamma }_{\infty }$ of all closed-shell ions to be estimated. The results are used to determine the nuclear quadrupole moment of ${\mathrm{Fe}}^{57m}$ from the published value of the quadrupole coupling constant in ${\mathrm{Fe}}_2$ ${\mathrm{O}}_3$. This result is discussed.