Abstract:
The R-matrix method when applied to the study of intermediate energy electron scattering by the hydrogen atom gives rise to a large number of two electron integrals between numerical
basis functions. Each integral is evaluated independently of the others, thereby rendering this
a prime candidate for a parallel implementation.
In this paper, we present a parallel implementation of this routine which uses a Graphical Processing Unit as a co-processor, giving a speedup of approximately $20$ times when compared with a sequential version. We briefly consider properties of this calculation which make a GPU implementation appropriate with a view to identifying other calculations which might similarly benefit.