Abstract
A practical, computationally simple procedure is presented for calculating energies and widths of resonances in atom-diatom complexes. It combines the stabilization method and a "golden rule" formula, employing only square-integrable basis functions. The utility of the procedure is tested on rotationally predissociating model atom-diatom van der Waals complexes. In addition, a procedure for performing coordinate rotation in small, selected subspaces of stabilization eigenvectors is proposed and applied to a two-open-channel model potential problem. A perturbation-based scheme is developed for systematic selection of those stabilization eigenvectors which should be included in the subspace.
Original language | English (US) |
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Pages (from-to) | 1192-1200 |
Number of pages | 9 |
Journal | Journal of physical chemistry |
Volume | 86 |
Issue number | 7 |
DOIs | |
State | Published - 1982 |
ASJC Scopus subject areas
- General Engineering
- Physical and Theoretical Chemistry