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dc.contributor.authorSokolovski, D.
dc.contributor.authorAkhmatskaya, E. 
dc.date.accessioned2016-06-13T13:32:21Z
dc.date.available2016-06-13T13:32:21Z
dc.date.issued2014-12-31
dc.identifier.isbn978-3-319-09143-3
dc.identifier.issn0302-9743
dc.identifier.urihttp://hdl.handle.net/20.500.11824/159
dc.description.abstractIn numerical modelling of chemical reactions one calculates the scattering matrix for the required values of energy and angular momentum. Having done so, one still faces the non-trivial task of extracting detailed information about the reaction mechanism. We discuss the methods and numerical tools for such an analysis in terms of resonance poles and semiclassical trajectories. Our approach avoids calculating the scattering matrix in semiclassical approximation, and employs its numerical values computed previously by an accurate scattering code.
dc.formatapplication/pdf
dc.language.isoengen_US
dc.rightsReconocimiento-NoComercial-CompartirIgual 3.0 Españaen_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/es/en_US
dc.subjectAngular momentum
dc.subjectChemical reactions
dc.subjectNumerical methods
dc.subjectScattering parameters
dc.subjectcomplex angular momentum analysis
dc.subjectNon-trivial tasks
dc.subjectNumerical values
dc.subjectReaction mechanism
dc.subjectScattering codes
dc.subjectScattering matrices
dc.subjectSemi-classical approximation
dc.subjectsemiclassical methodsTuesday
dc.subjectResonance
dc.titleComputer software for understanding resonances and resonance-related phenomena in chemical reactions
dc.typeinfo:eu-repo/semantics/conferenceObjecten_US
dc.identifier.doi10.1007/978-3-319-09144-0_36
dc.relation.publisherversionhttp://link.springer.com/chapter/10.1007%2F978-3-319-09144-0_36
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessen_US
dc.type.hasVersioninfo:eu-repo/semantics/acceptedVersionen_US
dc.journal.titleLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)en_US


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Reconocimiento-NoComercial-CompartirIgual 3.0 España
Except where otherwise noted, this item's license is described as Reconocimiento-NoComercial-CompartirIgual 3.0 España