Title
Tracing the parameter dependence of quantum resonances with numerical continuation Tracing the parameter dependence of quantum resonances with numerical continuation
Author
Faculty/Department
Faculty of Sciences. Mathematics and Computer Science
Publication type
article
Publication
London ,
Subject
Physics
Source (journal)
Journal of physics : B : atomic, molecular and optical physics / Physical Society. - London
Volume/pages
42(2009) , p. 044002,1-044002,6
ISSN
0022-3700
ISI
000263061100003
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
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.
E-info
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