Ab initiorelativistic many-body calculations for the Hg 6p2resonances

Relativistic configuration-interaction calculations have been made for the 6${\mathit{p}}^2$ resonances of Hgi using a relativistic version of the Fano theory. Pair-correlation effects associated with the 5d and valence electrons are important, contributing ∼1.5 eV to the positions of the resonances. Relative to Hg 6${\mathit{s}}^2$, the theoretical positions of the resonances (in ${\mathrm{cm}}^{\mathrm{-}1}$) are 90654, 94595, 97066, 106257, and 111609 for ${}_{}{}^3{}_{}{}^{}$ ${\mathit{P}}_{0,1,2}$, ${}_{}{}^1{}_{}{}^{}$ ${\mathit{D}}_2$, and ${}_{}{}^1{}_{}{}^{}$ ${\mathit{S}}_0$. The experimental values are 90096, 93980, 96185, and (tentatively) 103232, 109286 ${\mathrm{cm}}^{\mathrm{-}1}$. The theoretical values for the width (in eV) are 0.002, 0.0, 0.215, 0.914, and 0.298. The experimental value for the ${}_{}{}^3{}_{}{}^{}$ ${\mathit{P}}_2$ width is 0.272±0.074 eV.