Journal
CHEMICAL PHYSICS
Volume 325, Issue 2, Pages 378-388Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2006.01.030
Keywords
potential-energy surfaces; generalized diatomics-in-molecule method; projection-operator formalism; quasi-stationary states
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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.
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