%0 Journal Article
%J Journal of Physics B: Atomic, Molecular and Optical Physics
%D 2009
%T Tracing the parameter dependence of quantum resonances with numerical continuation
%A Vanroose, W.
%A Broeckhove, J.
%A P Kłosiewicz
%P 044002
%U http://stacks.iop.org/0953-4075/42/i=4/a=044002
%V 42
%X 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.