Resonance energies and lifetimes from stabilization-based methods

Zlatko Bačić, Jack Simons

Research output: Contribution to journalArticle

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 languageEnglish (US)
Pages (from-to)1192-1200
Number of pages9
JournalJournal of physical chemistry
Volume86
Issue number7
DOIs
StatePublished - 1982

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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