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

Donald G. Truhlar; David W. Schwenke

doi:10.1016/0009-2614(83)85070-2

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

Donald G. Truhlar, David W. Schwenke

Chemistry (Twin Cities)

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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 language	English (US)
Pages (from-to)	83-86
Number of pages	4
Journal	Chemical Physics Letters
Volume	95
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(83)85070-2
State	Published - Feb 25 1983

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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.",

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AU - Schwenke, David W.

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AB - 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.

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

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