Generalized diatomics-in-molecule method applied to the H-3 anion

A systematic study of the potential-energy surfaces of the ground and first excited states of the H-3(-) anion is carried out by means of the recently developed generalized diatomics-in-molecule method in the partial wave representation, making use of the available information for the bound and resonant states of H- and H-2(-). Both local complex potentials as well as energy-dependent nonlocal complex effective potentials are calculated. The potential-energy surfaces encompass both bound and quasi-stationary (resonant) electronic states. The paper presents the first calculation of the energy-dependent width and level-shift functions of the quasi-stationary states' of H-3(-) (c) 2006 Elsevier B.V. All rights reserved.