Article ID Journal Published Year Pages File Type
5376985 Chemical Physics 2006 11 Pages PDF
Abstract
A systematic study of the potential-energy surfaces of the ground and first excited states of the H3- 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-andH2-. 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 H3-.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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