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Title
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Tracing the parameter dependence of quantum resonances with numerical continuation
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Author
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Abstract
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| In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. To study when a bound state transitions into a resonance and how these transitions depend on various system parameters such as internuclear distances, one needs to look at the poles of the S-matrix. Using numerical continuation methods and bifurcation theory, we develop efficient and robust methods to trace the parameter dependence of the poles of the S-matrix. Using pseudo-arclength continuation, we can minimize the numerical complexity of our algorithm. As a proof-of-concept we have applied our methods on a number of model problems. |
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Language
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English
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Source (journal)
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Journal of physics: B : atomic and molecular physics / Physical Society; Institute of Physics [London] - London, 1969 - 1987
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Publication
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London
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2009
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ISSN
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0022-3700
[print]
1747-3721
[online]
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DOI
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10.1088/0953-4075/42/4/044002
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Volume/pages
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42
(2009)
, p. 044002,1-044002,6
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ISI
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000263061100003
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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