Author/Authors :
Machado، نويسنده , , Francisco B.C. and Roberto-Neto، نويسنده , , O. and Ornellas، نويسنده , , F.R.، نويسنده ,
Abstract :
Transition moment functions involving the ground electronic state and various excited doublet states of the BeH molecule are reported using highly correlated wavefunctions generated by the multi-reference single and double excitations configuration interaction approach. Radiative transition probabilities and lifetimes for the band systems A 2Π–X 2Σ+ and C 2Σ+–X 2Σ+ are also presented. Radiative lifetimes are predicted to be 81 and 163 ns for the first vibrational level of the A 2Π and C 2Σ+ states, respectively. The strongest transitions should correspond to the (0–0) and (0–8) bands of the A 2Π+–X 2Σ+ and C 2Σ+–X 2Σ+ systems.