Full-dimensional quantum dynamics of (A)over-tilde-state photodissociation of ammonia: Absorption spectra

Full-dimensional quantum dynamics of the (A) over tilde -state photodissociation of NH3 and ND3 is characterized on potential energy surfaces recently developed by Li [Theor. Chem. Acc. 118, 9 (2007)]. The (A) over tilde <-(X) over tilde 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 (A) over tilde 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. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2996357]