title: A renormalized potential-following propagation algorithm for solving the coupled-channels equations.
abstract: We derive a general renormalized potential-following propagation method that efficiently solves the coupled-channels equations. The step size is variable, the method is compatible with reactive boundary conditions, and the algorithm may be combined with other renormalized algorithms, such as renormalized Numerov. We diagonalize the coupling matrix and consider piece-wise constant and linear reference potentials. The constant reference potential algorithm is very simple to implement, yet for multichannel problems almost as accurate as the linear reference potential method. The applicability of the proposed algorithms to realistic problems is demonstrated for cold collisions of NH radicals. The renormalized approach has the advantage of producing wave functions in a straightforward way, which is illustrated for a shape resonance in NH-NH collisions. These scattering wave functions can be used to study ultracold photoassociation and near-threshold photodissociation.
authors.affiliation: Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen, The Netherlands.
authors.forename: Tijs
authors.initials: T
authors.lastname: Karman
authors.affiliation: Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
authors.forename: Liesbeth M C
authors.initials: LM
authors.lastname: Janssen
authors.affiliation: Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen, The Netherlands.
authors.forename: Rik
authors.initials: R
authors.lastname: Sprenkels
authors.affiliation: Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen, The Netherlands.
authors.forename: Gerrit C
authors.initials: GC
authors.lastname: Groenenboom