The observation of an infrared spectrum of the H + 3 molecular ion at its dissociation limit by Carrington and co-workers has presented a tremendous challenge to theory. To compute this spectrum it is necessary to model accurately the global potential energy surface of H + 3 , vibrationally excited states at dissociation, rotational excitation, lifetimes of rotationally excited`shape' resonances, and infrared transition dipoles near dissociation. Progress in each of these aspects is reviewed and results are presented for highly excited vibrational levels using a new ab initio global potential. The use of massively parallel computers in solving aspects of the problem is discussed.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.