New method for estimating widths of scattering resonances from real stabilization graphs

Todd C. Thompson, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

48 Scopus citations

Abstract

We present the method for estimating resonances widths, and positions, from graphs of stabilized energy eigenvalues as functions of a real variational parameter. The method requires no information about eigenvalues or eigenvectors of non-resonant roots or about the eigenvector of the resonant root. We apply the method successfuly to four resonances in collinear reactive scattering. We also apply Simons' new method that uses one resonant eigenvalue and one non-resonant eigenvalue, and we compare the predictions of the two stabilization-graph methods to results obtained from accurate quantal calculations for these test cases.

Original languageEnglish (US)
Pages (from-to)71-75
Number of pages5
JournalChemical Physics Letters
Volume92
Issue number1
DOIs
StatePublished - Oct 8 1982

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