Algorithm for locating narrow resonances in coupled-channel quantal scattering calculations

Donald G Truhlar, David W. Schwenke

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

We present a definition for the absolute eigenphase sum for multichannel quantum-mechanical scattering problems. The absolute eigenphase sum is useful for finding resonance, especially very narrow and hard-to-locate ones, for which the savings in computer time can be very large. We have demonstrated the practicality of the method by implementing it to locate a resonance in the diabatic representation with the Numerov method and in the adiabatic representation with R-matrix propagation.

Original languageEnglish (US)
Pages (from-to)83-86
Number of pages4
JournalChemical Physics Letters
Volume95
Issue number2
DOIs
StatePublished - Feb 25 1983

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