title: Hyperspherical slow variable discretization method for weakly bound triatomic molecules.
abstract: We develop a method for calculating the bound state energies and the wave functions of weakly bound triatomic molecular systems. The method is based on the use of hyperspherical coordinates, combined with the slow variable discretization approach. The finite-element methods-discrete variable representation scheme provides an efficient means to solve the coupled-channel hyper-radial equations. Our method is applied to searching for bound states of the (20)Ne(2)H and (4)He(20)NeH triatomic molecules, using the best empirical pairwise interaction potentials. We consider not only zero total nuclear orbital momentum, J = 0, states but also J > 0 states. The (20)Ne(2)H system has been found to possess one bound state each for the J(Π)=0(+),1(-), and 2(+) symmetries, while there exist only one bound state for the (4)He(20)NeH system in the 0(+) symmetry. We shall calculate the bound state energies and analyze the molecular structures of these species in detail.
authors.affiliation: The Earth Simulator Center, Japan Agency for Marine-Earth Science and Technology, 3173-25 Showa-machi, Kanazawa-ku, Yokohama 236-0001, Japan. rschink@gwdg.de
authors.forename: Hiroya
authors.initials: H
authors.lastname: Suno