Ab initio relativistic many-body calculations for the Hg 6p2 resonances

Relativistic configuration-interaction calculations have been made for the 6p2 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 6s2, the theoretical positions of the resonances (in cm-1) are 90654, 94595, 97066, 106257, and 111609 for 3P0,1,2, 1D2, and 1S0. The experimental values are 90096, 93980, 96185, and (tentatively) 103232, 109286 cm-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 3P2 width is 0.272±0.074 eV. © 1991 The American Physical Society