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Computer Physics Communications
Article . 2011 . Peer-reviewed
License: Elsevier TDM
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Extracting S-matrix poles for resonances from numerical scattering data: Type-II Padé reconstruction

Authors: Elena Akhmatskaya; Elena Akhmatskaya; S. K. Sen; Dmitri Sokolovski; Dmitri Sokolovski; Dmitri Sokolovski;

Extracting S-matrix poles for resonances from numerical scattering data: Type-II Padé reconstruction

Abstract

We present a FORTRAN 77 code for evaluation of resonance pole positions and residues of a numerical scattering matrix element in the complex energy (CE) as well as in the complex angular momentum (CAM) planes. Analytical continuation of the S-matrix element is performed by constructing a type-II Padé approximant from given physical values (Bessis et al. (1994) [42]; Vrinceanu et al. (2000) [24]; Sokolovski and Msezane (2004) [23]). The algorithm involves iterative 'preconditioning' of the numerical data by extracting its rapidly oscillating potential phase component. The code has the capability of adding non-analytical noise to the numerical data in order to select 'true' physical poles, investigate their stability and evaluate the accuracy of the reconstruction. It has an option of employing multiple-precision (MPFUN) package (Bailey (1993) [45]) developed by D.H. Bailey wherever double precision calculations fail due to a large number of input partial waves (energies) involved. The code has been successfully tested on several models, as well as the F + H2 → HF + H, F + HD → HF + D, Cl + HCl → ClH + Cl and H + D2 → HD + D reactions. Some detailed examples are given in the text.

Countries
Spain, United Kingdom
Keywords

Regge poles, /dk/atira/pure/subjectarea/asjc/1700/1708, 530, 510, name=General Physics and Astronomy, Resonances, name=Hardware and Architecture, /dk/atira/pure/subjectarea/asjc/3100/3100, Atomic and molecular collisions, S-matrix, Padé approximation

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
14
Average
Average
Top 10%
Green