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.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry