Full-dimensional quantum dynamics of Ã-state photodissociation of ammonia: Absorption spectra.

Full-dimensional quantum dynamics of the Ã-state photodissociation of NH3 and ND3 is characterized on potential energy surfaces recently developed by Li et al. [Theor. Chem. Acc. 118, 9 (2007)]. The Ã←X absorption spectra of the two isotopomers were obtained for several vibrational levels on the ground electronic state. The calculated positions and lifetimes of low-lying umbrella resonances on the excited à electronic state are found to reproduce experimental trends and shed light on the multidimensional dynamics. The agreement with measured spectra is reasonable, but assignment of some individual features remains incomplete. [ABSTRACT FROM AUTHOR]