Analytic self-consistent-field wave functions forCs+and Cs

Analytic self-consistent-field Hartree-Fock wave functions for ${\mathrm{Cs}}^{+}\left({}_{}{}^1{}_{}{}^{}S\right)$ and $\mathrm{Cs}\left({}_{}{}^2{}_{}{}^{}S\right)$ have been calculated by Roothaan's expansion method. The virial theorem is satisfied to six significant figures for both ${\mathrm{Cs}}^{+}$ and Cs. Results for the total electronic energies of ${\mathrm{Cs}}^{+}$ and Cs and the first ionization potential of Cs are compared with those of Fraga et al., calculated by numerically integrating the integrodifferential equations of Hartree and Fock. Our result for the first ionization potential of Cs is closer to the experimental value than that of Fraga et al. Employing those analytic expansions, the diamagnetic susceptibility ($\chi$) and nuclear magnetic shielding constant ($\sigma$) are calculated for both ${\mathrm{Cs}}^{+}$ and Cs.