@article {0953-4075-42-4-044002,
title = {Tracing the parameter dependence of quantum resonances with numerical continuation},
journal = {Journal of Physics B: Atomic, Molecular and Optical Physics},
volume = {42},
number = {4},
year = {2009},
pages = {044002},
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.},
url = {http://stacks.iop.org/0953-4075/42/i=4/a=044002},
author = {Vanroose, W. and Broeckhove, J. and P K{\l}osiewicz}
}