Adiabatic (full lines) and diabatic (dashed lines) PECs of the interacting E and states.
Adjusted E and diabatic curves (full lines). The vibrational levels of these states are drawn in the figure. Ab initio diabatic-like valence state (dashed line).
Computed nuclear wave functions resulting from a mixture of 60% and 40% . In dashed lines the vibrational wave function of .
Calculated and diabatic–like TMs (see text). The vertical dotted lines between 1.80 and 2.35 a.u. delimit the Franck–Condon region for transitions from (see Fig. 4 ).
Observed and calculated vibronic levels of . stand for the transition energies, for the rotational constants, for the oscillator strengths and for the isotopic shifts in transition energies of with respect to .
Parameters (in ) for the adjusted diabatic PEC of the Rydberg state.
Predicted levels of . See heading of Table I for the definition of quantities.
Article metrics loading...
Full text loading...