Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376985 | Chemical Physics | 2006 | 11 Pages |
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
Authors
A.K. Belyaev, A.S. Tiukanov, W. Domcke,