화학공학소재연구정보센터
Journal of Chemical Physics, Vol.110, No.14, 6702-6713, 1999
Doubly excited autoionizing states of H-2 above the second ionization threshold: the Q(2) resonance series
We report extensive calculations of energy positions, autoionization widths and branching ratios for the Q(2) doubly excited states of H-2 lying above the second ionization threshold (2)Sigma(u)(+). We present results for 60 doubly excited states of the (1,3)Sigma(g,u)(+), (IIg,u)-I-1,3, and (1,3)Delta(g,u) symmetries in the range of internuclear distances 0 less than or equal to R less than or equal to 6 a.u. The resonance parameters have been obtained using the Feshbach theory and an L-2 representation of the nonresonant continuum with B-spline functions. Our results are compared with previous theoretical data. We have found significant discrepancies for states of the (1)Sigma(g)(+) and (1)Sigma(u)(+) symmetries.