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dc.contributor.authorAkhmatskaya E.
dc.contributor.authorSokolovski D.
dc.contributor.authorEcheverria-Arrondo C.
dc.date.accessioned2016-06-13T13:32:22Z
dc.date.available2016-06-13T13:32:22Z
dc.date.issued2014-12-31
dc.identifier.issn0010-4655
dc.identifier.urihttp://hdl.handle.net/20.500.11824/169
dc.description.abstractWe present a detailed description of a FORTRAN code for evaluation of the resonance contribution a Regge trajectory makes to the integral state-to-state cross section (ICS) within a specified range of energies. The contribution is evaluated with the help of the Mulholland formula (Macek et al., 2004) and its variants (Sokolovski et al., 2007; Sokolovski and Akhmatskaya, 2011). Regge pole positions and residues are obtained by analytically continuing S-matrix element, evaluated numerically for the physical values of the total angular momentum, into the complex angular momentum plane using the PADE-II program (Sokolovski et al., 2011). The code decomposes an elastic, inelastic, or reactive ICS into a structured, resonance, and a smooth, 'direct', components, and attributes observed resonance structure to resonance Regge trajectories. The package has been successfully tested on various models, as well as the F+H 2‚ÜíHF+H benchmark reaction. Several detailed examples are given in the text.
dc.formatapplication/pdf
dc.languageeng
dc.publisherComputer Physics Communications
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/es/
dc.subjectAngular momentum
dc.subjectPoles
dc.subjectQuantum theory
dc.subjectScattering parameters
dc.subjectAtomic and molecular collision
dc.subjectFORTRAN codes
dc.subjectIntegral cross-sections
dc.subjectResonance structure
dc.subjectS-matrix
dc.subjectS-matrix elements
dc.subjectResonance
dc.titleNumerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/acceptedVersion
dc.identifier.doi10.1016/j.cpc.2014.03.030
dc.relation.publisherversionhttp://www.sciencedirect.com/science/article/pii/S0010465514001106


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