The broadened spectrum for Ama + (Fig. ) displays two bands in contrast to the vibrationally resolved spectrum in the VG approximation, which shows three bands (Fig. ). The first band includes mostly contributions of D 1 , D 2 , and D 3 in agreement with the VG spectrum, whereas D 4 and higher states compose the second band (Fig. ). The lowest energy band was used to select initial states for the SH calculations. Specifically, we set an energy window of eV to select the initial states.